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CHEBI:63987 - N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)

ChEBI IDCHEBI:63987
ChEBI NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
Stars
ASCII NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
DefinitionAn organic cation obtained by protonation of the tertiary amino function of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol.
Last Modified23 August 2024
SubmitterSteve
DownloadsMolfile
FormulaC19H22NO2
Net Charge+1
Average Mass296.390
Monoisotopic Mass296.16451
SMILESC=CC[NH+]1CCc2cc(O)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2/p+1
InChIKeyQBUVZVXIRYFENV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987) is a ammonium ion derivative (CHEBI:35274)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987) is a organic cation (CHEBI:25697)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987) is conjugate acid of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988)
Incoming Relation(s)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide (CHEBI:63978) has part N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) is conjugate base of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987)
IUPAC Name 
3-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepinium
Synonyms  Source
SKF 77434 cationChEBI
SKF 77434(1+)ChEBI