1-methyl-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide CAS Name: 1-methyl-4-nitro-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Traditional Name: 1-methyl-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Formula: C19H24N7O3+ MolecularWeight: 398.43896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O3/c1-23-13-16(26(28)29)17(22-23)18(27)21-19-20-14-7-3-4-8-15(14)25(19)12-11-24-9-5-2-6-10-24/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,20,21,27)/p+1