CHEBI:77457 - 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium

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ChEBI Name 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium
ChEBI ID CHEBI:77457
Definition An organic cation that is the conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide, obtained by protonation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H29N2O
Net Charge +1
Average Mass 289.43510
Monoisotopic Mass 289.22744
InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1
InChIKey LEBVLXFERQHONN-UHFFFAOYSA-O
SMILES CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C
ChEBI Ontology
Outgoing 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457) is a ammonium ion derivative (CHEBI:35274)
1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457) is a organic cation (CHEBI:25697)
1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457) is conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431)
Incoming 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride (CHEBI:77441) has part 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457)
dextrobupivacaine(1+) (CHEBI:77459) is a 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457)
levobupivacaine(1+) (CHEBI:77458) is a 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431) is conjugate base of 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457)
IUPAC Name
1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium
Last Modified
24 February 2014