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CHEBI:77738 - (S)-verapamil(1+)

ChEBI IDCHEBI:77738
ChEBI Name(S)-verapamil(1+)
Stars
ASCII Name(S)-verapamil(1+)
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil.
Last Modified14 March 2025
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H39N2O4
Net Charge+1
Average Mass455.619
Monoisotopic Mass455.29043
SMILESCOc1ccc(CC[NH+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m0/s1
InChIKeySGTNSNPWRIOYBX-MHZLTWQESA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-verapamil(1+) (CHEBI:77738) is a ammonium ion derivative (CHEBI:35274)
(S)-verapamil(1+) (CHEBI:77738) is conjugate acid of (S)-verapamil (CHEBI:77736)
(S)-verapamil(1+) (CHEBI:77738) is enantiomer of dexverapamil(1+) (CHEBI:77737)
Incoming Relation(s)
(S)-verapamil (CHEBI:77736) is conjugate base of (S)-verapamil(1+) (CHEBI:77738)
dexverapamil(1+) (CHEBI:77737) is enantiomer of (S)-verapamil(1+) (CHEBI:77738)
IUPAC Name 
(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium
Synonym  Source
(S)-verapamil(1+)ChEBI