2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[1-methyl-2-[methyl(propyl)ammonio]ethyl]sulfanyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[1-[methyl(propyl)ammonio]propan-2-ylthio]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-[methyl(propyl)azaniumyl]propan-2-ylsulfanyl]butanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-methyl-2-[methyl(propyl)ammonio]ethyl]thio]butyrate Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](C)CC(C)SC(C)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCC[NH+](C)CC(C)SC(C)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C23H33NO3S/c1-7-12-24(5)15-16(2)28-17(3)23(4,22(25)26)20-10-8-19-14-21(27-6)11-9-18(19)13-20/h8-11,13-14,16-17H,7,12,15H2,1-6H3,(H,25,26)