(S)-N-methylcoclaurinium(1+) (CHEBI:57993)

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CHEBI:57993 - (S)-N-methylcoclaurinium(1+)

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ChEBI ID	CHEBI:57993
ChEBI Name	(S)-N-methylcoclaurinium(1+)
Stars
ASCII Name	(S)-N-methylcoclaurinium(1+)
Definition	The conjugate acid of (S)-N-methylcoclaurine; major species at pH 7.3.
Last Modified	11 July 2014
Downloads	Molfile

Formula	C18H22NO3
Net Charge	+1
Average Mass	300.378
Monoisotopic Mass	300.15942
SMILES	COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[NH+](C)CC2
InChI	InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m0/s1
InChIKey	BOKVLBSSPUTWLV-INIZCTEOSA-O

ChEBI Ontology

Outgoing Relation(s)
	(S)-N-methylcoclaurinium(1+) (CHEBI:57993) is a ammonium ion derivative (CHEBI:35274)
	(S)-N-methylcoclaurinium(1+) (CHEBI:57993) is a organic cation (CHEBI:25697)
	(S)-N-methylcoclaurinium(1+) (CHEBI:57993) is conjugate acid of (S)-N-methylcoclaurine (CHEBI:17041)
Incoming Relation(s)
	(S)-N-methylcoclaurine (CHEBI:17041) is conjugate base of (S)-N-methylcoclaurinium(1+) (CHEBI:57993)

IUPAC Name
(1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium

Synonym	Source
(S)-N-methylcoclaurinium cation	ChEBI

UniProt Name	Source
(S)-N-methylcoclaurine	UniProt