[3-acetamido-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)benzyl]-[4-(methylthio)benzyl]ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)SC)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)SC)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O2S/c1-17(28)25-21-13-19(16-24-15-18-4-6-22(30-3)7-5-18)12-20(14-21)23(29)27-10-8-26(2)9-11-27/h4-7,12-14,24H,8-11,15-16H2,1-3H3,(H,25,28)/p+1