N-(2-methylpropyl)-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C19H29N6O+ MolecularWeight: 357.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

InChI

InChI=1S/C19H28N6O/c1-14(2)11-20-19(26)18-13-25(23-22-18)17-7-9-24(10-8-17)12-16-6-4-5-15(3)21-16/h4-6,13-14,17H,7-12H2,1-3H3,(H,20,26)/p+1