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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[3-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-pentanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[3-[[methyl(phenyl)ammonio]methyl]phenyl]sulfanyl-pentanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[3-[[methyl(phenyl)ammonio]methyl]phenyl]thio]pentanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[3-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanylpentanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[3-[[methyl(phenyl)ammonio]methyl]phenyl]thio]valerate Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO3S/c1-5-29(36-28-13-9-10-22(18-28)21-32(3)26-11-7-6-8-12-26)31(2,30(33)34)25-16-14-24-20-27(35-4)17-15-23(24)19-25/h6-20,29H,5,21H2,1-4H3,(H,33,34)