8-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate

Systemtic Name: 8-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate Openeye Name: 8-[benzyl(dimethyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 8-[[dimethyl-(phenylmethyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methyloctanoate IUPAC Name: 8-[benzyl(dimethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyloctanoate Traditional Name: 8-[[benzyl(dimethyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-caprylate Formula: C29H37NO3S MolecularWeight: 479.67398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3S/c1-29(28(31)32,26-16-14-25-21-27(33-4)17-15-24(25)20-26)18-10-5-6-11-19-34-30(2,3)22-23-12-8-7-9-13-23/h7-9,12-17,20-21H,5-6,10-11,18-19,22H2,1-4H3