N-cyclopropyl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C17H23N6O+ MolecularWeight: 327.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C17H22N6O/c24-17(19-14-3-4-14)16-12-23(21-20-16)15-5-8-22(9-6-15)11-13-2-1-7-18-10-13/h1-2,7,10,12,14-15H,3-6,8-9,11H2,(H,19,24)/p+1