N-cyclopropyl-1-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[[3-(o-tolyl)phenyl]methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[[3-(2-methylphenyl)phenyl]methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[3-(o-tolyl)benzyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)NC5CC5

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)NC5CC5

InChI

InChI=1S/C25H29N5O/c1-18-5-2-3-8-23(18)20-7-4-6-19(15-20)16-29-13-11-22(12-14-29)30-17-24(27-28-30)25(31)26-21-9-10-21/h2-8,15,17,21-22H,9-14,16H2,1H3,(H,26,31)/p+1