2-[4-[2,2-dimethyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butyl]phenyl]propanoate

Systemtic Name: 2-[4-[2,2-dimethyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butyl]phenyl]propanoate Openeye Name: 2-[4-[2,2-dimethyl-3-[1-methyl-2-[methyl(propyl)ammonio]ethyl]sulfanyl-butyl]phenyl]propanoate CAS Name: 2-[4-[2,2-dimethyl-3-[1-[methyl(propyl)ammonio]propan-2-ylthio]butyl]phenyl]propanoate IUPAC Name: 2-[4-[2,2-dimethyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butyl]phenyl]propanoate Traditional Name: 2-[4-[2,2-dimethyl-3-[[1-methyl-2-[methyl(propyl)ammonio]ethyl]thio]butyl]phenyl]propionate Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](C)CC(C)SC(C)C(C)(C)CC1=CC=C(C=C1)C(C)C(=O)[O-]

Isomeric SMILES

CCC[NH+](C)CC(C)SC(C)C(C)(C)CC1=CC=C(C=C1)C(C)C(=O)[O-]

InChI

InChI=1S/C22H37NO2S/c1-8-13-23(7)15-16(2)26-18(4)22(5,6)14-19-9-11-20(12-10-19)17(3)21(24)25/h9-12,16-18H,8,13-15H2,1-7H3,(H,24,25)