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

Systemtic Name: 6-[dimethyl-(phenylmethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoate Openeye Name: 6-[benzyl(dimethyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate CAS Name: 6-[[dimethyl-(phenylmethyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylhexanoate IUPAC Name: 6-[benzyl(dimethyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylhexanoate Traditional Name: 6-[[benzyl(dimethyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO3S/c1-27(26(29)30,24-14-12-23-19-25(31-4)15-13-22(23)18-24)16-8-9-17-32-28(2,3)20-21-10-6-5-7-11-21/h5-7,10-15,18-19H,8-9,16-17,20H2,1-4H3