2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-hexanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-hexanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[4-[[methyl(phenyl)ammonio]methyl]phenyl]sulfanyl-hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[4-[[methyl(phenyl)ammonio]methyl]phenyl]thio]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanylhexanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[4-[[methyl(phenyl)ammonio]methyl]phenyl]thio]hexanoate Formula: C32H35NO3S MolecularWeight: 513.6902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=C(C=C3)C[NH+](C)C4=CC=CC=C4

Isomeric SMILES

CCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=C(C=C3)C[NH+](C)C4=CC=CC=C4

InChI

InChI=1S/C32H35NO3S/c1-5-9-30(37-29-18-12-23(13-19-29)22-33(3)27-10-7-6-8-11-27)32(2,31(34)35)26-16-14-25-21-28(36-4)17-15-24(25)20-26/h6-8,10-21,30H,5,9,22H2,1-4H3,(H,34,35)