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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Formula: C18H25ClN5O2+ MolecularWeight: 378.8764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

Isomeric SMILES

CN(CCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H24ClN5O2/c1-22(7-4-8-23-9-11-26-12-10-23)18(25)17-14-24(21-20-17)13-15-5-2-3-6-16(15)19/h2-3,5-6,14H,4,7-13H2,1H3/p+1