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

Systemtic Name: 4-chloranyl-2-methyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2-methyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2-methyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2-methyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Formula: C19H24ClN6O+ MolecularWeight: 387.88646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN6O/c1-24-17(14(20)13-21-24)18(27)23-19-22-15-7-3-4-8-16(15)26(19)12-11-25-9-5-2-6-10-25/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,22,23,27)/p+1