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

Systemtic Name: 2-ethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Formula: C20H27N6O+ MolecularWeight: 367.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

InChI

InChI=1S/C20H26N6O/c1-2-26-18(10-11-21-26)19(27)23-20-22-16-8-4-5-9-17(16)25(20)15-14-24-12-6-3-7-13-24/h4-5,8-11H,2-3,6-7,12-15H2,1H3,(H,22,23,27)/p+1