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

Systemtic Name: 1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: N-isobutyl-1-(1-o-anisylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H29N5O2/c1-15(2)12-21-20(26)18-14-25(23-22-18)17-8-10-24(11-9-17)13-16-6-4-5-7-19(16)27-3/h4-7,14-15,17H,8-13H2,1-3H3,(H,21,26)/p+1