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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[3-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanyl-heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[3-[[methyl(phenyl)ammonio]methyl]phenyl]sulfanyl-heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[3-[[methyl(phenyl)ammonio]methyl]phenyl]thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[3-[[methyl(phenyl)azaniumyl]methyl]phenyl]sulfanylheptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[3-[[methyl(phenyl)ammonio]methyl]phenyl]thio]enanthate Formula: C33H37NO3S MolecularWeight: 527.71678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(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

CCCCC(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/C33H37NO3S/c1-5-6-15-31(38-30-14-10-11-24(20-30)23-34(3)28-12-8-7-9-13-28)33(2,32(35)36)27-18-16-26-22-29(37-4)19-17-25(26)21-27/h7-14,16-22,31H,5-6,15,23H2,1-4H3,(H,35,36)