3-[1-[ethyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3S/c1-7-21(15-24(5)8-2)28-16(3)23(4,22(25)26)19-11-9-18-14-20(27-6)12-10-17(18)13-19/h9-14,16,21H,7-8,15H2,1-6H3,(H,25,26)