7-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate

Systemtic Name: 7-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate Openeye Name: 7-[benzyl(dimethyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoate CAS Name: 7-[[dimethyl-(phenylmethyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylheptanoate IUPAC Name: 7-[benzyl(dimethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylheptanoate Traditional Name: 7-[[benzyl(dimethyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthate Formula: C28H35NO3S MolecularWeight: 465.6474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3S/c1-28(27(30)31,25-15-13-24-20-26(32-4)16-14-23(24)19-25)17-9-6-10-18-33-29(2,3)21-22-11-7-5-8-12-22/h5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1-4H3