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

Systemtic Name: 4-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate Openeye Name: 4-[benzyl(dimethyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 4-[[dimethyl-(phenylmethyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylbutanoate IUPAC Name: 4-[benzyl(dimethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 4-[[benzyl(dimethyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS[N+](C)(C)CC1=CC=CC=C1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC(CCS[N+](C)(C)CC1=CC=CC=C1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C25H29NO3S/c1-25(24(27)28,14-15-30-26(2,3)18-19-8-6-5-7-9-19)22-12-10-21-17-23(29-4)13-11-20(21)16-22/h5-13,16-17H,14-15,18H2,1-4H3