2-[(4S)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-1,4-dihydroimidazol-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4S)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-1,4-dihydroimidazol-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[(4S)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenyl-acetamide CAS Name: 2-[(4S)-2-(4-methyl-1-piperazin-4-iumyl)-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenylacetamide IUPAC Name: 2-[(4S)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenylacetamide Traditional Name: 2-[(4S)-5-keto-2-(4-methylpiperazin-4-ium-1-yl)-2-imidazolin-4-yl]-N-phenyl-acetamide Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(C(=O)N2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=N[C@H](C(=O)N2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2/c1-20-7-9-21(10-8-20)16-18-13(15(23)19-16)11-14(22)17-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,22)(H,18,19,23)/p+1/t13-/m0/s1