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

Systemtic Name: N-propan-2-yl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-propan-2-yl-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-propan-2-yl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-isopropyl-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H24N6O/c1-13(2)19-17(24)16-12-23(21-20-16)15-5-8-22(9-6-15)11-14-4-3-7-18-10-14/h3-4,7,10,12-13,15H,5-6,8-9,11H2,1-2H3,(H,19,24)/p+1