[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H26N4O3S/c1-14(23)21-8-10-22(11-9-21)18(25)13-20(2)12-17(24)19-15-6-4-5-7-16(15)26-3/h4-7H,8-13H2,1-3H3,(H,19,24)/p+1