2-(4-nitropyrazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]ethanamide

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]ethanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]acetamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide Traditional Name: 2-(4-nitropyrazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide Formula: C19H24N7O3+ MolecularWeight: 398.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O3/c27-18(14-24-13-15(12-20-24)26(28)29)22-19-21-16-6-2-3-7-17(16)25(19)11-10-23-8-4-1-5-9-23/h2-3,6-7,12-13H,1,4-5,8-11,14H2,(H,21,22,27)/p+1