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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl-bis(phenylmethyl)azaniumyl]sulfanyl-butanoate Openeye Name: 4-[dibenzyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-4-[[methyl-bis(phenylmethyl)ammonio]thio]butanoate IUPAC Name: 4-[dibenzyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 4-[[dibenzyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC(CCS[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C31H33NO3S/c1-31(30(33)34,28-16-14-27-21-29(35-3)17-15-26(27)20-28)18-19-36-32(2,22-24-10-6-4-7-11-24)23-25-12-8-5-9-13-25/h4-17,20-21H,18-19,22-23H2,1-3H3