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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)triazole-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)triazole-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)triazole-4-carboxamide Formula: C19H27ClN5O+ MolecularWeight: 376.90358

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN(CCC[NH+]1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H26ClN5O/c1-23(9-6-12-24-10-3-2-4-11-24)19(26)18-15-25(22-21-18)14-16-7-5-8-17(20)13-16/h5,7-8,13,15H,2-4,6,9-12,14H2,1H3/p+1