[2-[[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C22H28N2O3S/c1-16(25)17-9-10-21(27-4)20(11-17)14-28-15-22(26)23-12-18-7-5-6-8-19(18)13-24(2)3/h5-11H,12-15H2,1-4H3,(H,23,26)/p+1