2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C24H33N6O3S+ MolecularWeight: 485.62222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H32N6O3S/c1-27-12-9-25-24(27)34-18-21(31)26-20-7-5-19(6-8-20)23(33)30-15-13-28(14-16-30)17-22(32)29-10-3-2-4-11-29/h5-9,12H,2-4,10-11,13-18H2,1H3,(H,26,31)/p+1