3-methoxy-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazole-5-carboxamide Formula: C19H24N7O4+ MolecularWeight: 414.43836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

InChI

InChI=1S/C19H23N7O4/c1-30-18-16(26(28)29)15(22-23-18)17(27)21-19-20-13-7-3-4-8-14(13)25(19)12-11-24-9-5-2-6-10-24/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,22,23)(H,20,21,27)/p+1