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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[2-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[2-[[methyl(phenyl)ammonio]methyl]phenyl]sulfanyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[2-[[methyl(phenyl)ammonio]methyl]phenyl]thio]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[2-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanylbutanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[2-[[methyl(phenyl)ammonio]methyl]phenyl]thio]butyrate Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C30H31NO3S/c1-21(35-28-13-9-8-10-24(28)20-31(3)26-11-6-5-7-12-26)30(2,29(32)33)25-16-14-23-19-27(34-4)17-15-22(23)18-25/h5-19,21H,20H2,1-4H3,(H,32,33)