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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-4-triazolecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide Formula: C19H27ClN5O2+ MolecularWeight: 392.90298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H26ClN5O2/c1-23(7-2-3-8-24-9-11-27-12-10-24)19(26)18-15-25(22-21-18)14-16-5-4-6-17(20)13-16/h4-6,13,15H,2-3,7-12,14H2,1H3/p+1