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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

Isomeric SMILES

CN(CC[NH+]1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H24ClN5O/c1-22(11-12-23-9-5-2-6-10-23)18(25)17-14-24(21-20-17)13-15-7-3-4-8-16(15)19/h3-4,7-8,14H,2,5-6,9-13H2,1H3/p+1