2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(diphenyl)azaniumyl]sulfanyl-butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(diphenyl)azaniumyl]sulfanyl-butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[methyl(diphenyl)ammonio]sulfanyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-4-[[methyl(diphenyl)ammonio]thio]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(diphenyl)azaniumyl]sulfanylbutanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[[methyl(diphenyl)ammonio]thio]butyrate Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC(CCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C29H29NO3S/c1-29(28(31)32,24-16-14-23-21-27(33-3)17-15-22(23)20-24)18-19-34-30(2,25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-17,20-21H,18-19H2,1-3H3