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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C17H23ClN5O+ MolecularWeight: 348.85042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O/c18-15-6-4-14(5-7-15)12-23-13-16(20-21-23)17(24)19-8-11-22-9-2-1-3-10-22/h4-7,13H,1-3,8-12H2,(H,19,24)/p+1