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

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C23H31N6O4S+ MolecularWeight: 487.59504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C23H30N6O4S/c1-26-7-6-24-23(26)34-17-20(30)25-19-4-2-18(3-5-19)22(32)29-10-8-27(9-11-29)16-21(31)28-12-14-33-15-13-28/h2-7H,8-17H2,1H3,(H,25,30)/p+1