2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C12H19N6O3+ MolecularWeight: 295.31766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NN=C2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)NN=C2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O3/c1-9-13-7-12(18(20)21)17(9)8-11(19)15-14-10-3-5-16(2)6-4-10/h7H,3-6,8H2,1-2H3,(H,15,19)/p+1