2-[4-[2,2-dimethyl-4-[methyl(diphenyl)azaniumyl]sulfanyl-butyl]phenyl]propanoate

Systemtic Name: 2-[4-[2,2-dimethyl-4-[methyl(diphenyl)azaniumyl]sulfanyl-butyl]phenyl]propanoate Openeye Name: 2-[4-[2,2-dimethyl-4-[methyl(diphenyl)ammonio]sulfanyl-butyl]phenyl]propanoate CAS Name: 2-[4-[2,2-dimethyl-4-[[methyl(diphenyl)ammonio]thio]butyl]phenyl]propanoate IUPAC Name: 2-[4-[2,2-dimethyl-4-[methyl(diphenyl)azaniumyl]sulfanylbutyl]phenyl]propanoate Traditional Name: 2-[4-[2,2-dimethyl-4-[[methyl(diphenyl)ammonio]thio]butyl]phenyl]propionate Formula: C28H33NO2S MolecularWeight: 447.63212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC(C)(C)CCS[N+](C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)CC(C)(C)CCS[N+](C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C28H33NO2S/c1-22(27(30)31)24-17-15-23(16-18-24)21-28(2,3)19-20-32-29(4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,22H,19-21H2,1-4H3