2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[2-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-octanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[2-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-octanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[2-[[methyl(phenyl)ammonio]methyl]phenyl]sulfanyl-octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[2-[[methyl(phenyl)ammonio]methyl]phenyl]thio]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[2-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyloctanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[2-[[methyl(phenyl)ammonio]methyl]phenyl]thio]caprylate Formula: C34H39NO3S MolecularWeight: 541.74336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC=C3C[NH+](C)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC=C3C[NH+](C)C4=CC=CC=C4

InChI

InChI=1S/C34H39NO3S/c1-5-6-8-17-32(39-31-16-12-11-13-27(31)24-35(3)29-14-9-7-10-15-29)34(2,33(36)37)28-20-18-26-23-30(38-4)21-19-25(26)22-28/h7,9-16,18-23,32H,5-6,8,17,24H2,1-4H3,(H,36,37)