5-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate

Systemtic Name: 5-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate Openeye Name: 5-[benzyl(dimethyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoate CAS Name: 5-[[dimethyl-(phenylmethyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylpentanoate IUPAC Name: 5-[benzyl(dimethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylpentanoate Traditional Name: 5-[[benzyl(dimethyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valerate Formula: C26H31NO3S MolecularWeight: 437.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3S/c1-26(25(28)29,23-13-11-22-18-24(30-4)14-12-21(22)17-23)15-8-16-31-27(2,3)19-20-9-6-5-7-10-20/h5-7,9-14,17-18H,8,15-16,19H2,1-4H3