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

Systemtic Name: N-(2-methylpropyl)-1-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H26N6O/c1-14(2)10-20-18(25)17-13-24(22-21-17)16-7-5-9-23(12-16)11-15-6-3-4-8-19-15/h3-4,6,8,13-14,16H,5,7,9-12H2,1-2H3,(H,20,25)/p+1/t16-/m0/s1