[3-methoxy-2-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)propanoyl]-[1-(methylamino)-1-oxidanylidene-propan-2-yl]-(2-methylpropyl)-phenyl-azanium

Systemtic Name: [3-methoxy-2-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)propanoyl]-[1-(methylamino)-1-oxidanylidene-propan-2-yl]-(2-methylpropyl)-phenyl-azanium Openeye Name: [2-benzylsulfanyl-3-methoxy-2-(4-methoxyphenyl)propanoyl]-isobutyl-[1-methyl-2-(methylamino)-2-oxo-ethyl]-phenyl-ammonium CAS Name: [3-methoxy-2-(4-methoxyphenyl)-1-oxo-2-(phenylmethylthio)propyl]-[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)-phenylammonium IUPAC Name: [2-benzylsulfanyl-3-methoxy-2-(4-methoxyphenyl)propanoyl]-[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)-phenylazanium Traditional Name: [2-(benzylthio)-3-methoxy-2-(4-methoxyphenyl)propanoyl]-isobutyl-[2-keto-1-methyl-2-(methylamino)ethyl]-phenyl-ammonium Formula: C32H41N2O4S+ MolecularWeight: 549.74394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C1=CC=CC=C1)(C(C)C(=O)NC)C(=O)C(COC)(C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[N+](C1=CC=CC=C1)(C(C)C(=O)NC)C(=O)C(COC)(C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C32H40N2O4S/c1-24(2)21-34(25(3)30(35)33-4,28-15-11-8-12-16-28)31(36)32(23-37-5,27-17-19-29(38-6)20-18-27)39-22-26-13-9-7-10-14-26/h7-20,24-25H,21-23H2,1-6H3/p+1