1-[(2-chlorophenyl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]triazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]triazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]triazole-4-carboxamide Formula: C21H29ClN5O+ MolecularWeight: 402.94086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCCC2)CNC(=O)C3=CN(N=N3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](CC1)C2(CCCC2)CNC(=O)C3=CN(N=N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H28ClN5O/c22-18-9-3-2-8-17(18)14-27-15-19(24-25-27)20(28)23-16-21(10-4-5-11-21)26-12-6-1-7-13-26/h2-3,8-9,15H,1,4-7,10-14,16H2,(H,23,28)/p+1