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

Systemtic Name: 3-[1-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate Openeye Name: 3-[1-[[butyl(methyl)ammonio]methyl]propylsulfanyl]-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 3-[1-[butyl(methyl)ammonio]butan-2-ylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylbutanoate IUPAC Name: 3-[1-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 3-[1-[[butyl(methyl)ammonio]methyl]propylthio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO3S/c1-7-9-14-26(5)17-23(8-2)30-18(3)25(4,24(27)28)21-12-10-20-16-22(29-6)13-11-19(20)15-21/h10-13,15-16,18,23H,7-9,14,17H2,1-6H3,(H,27,28)