1-[(2-chlorophenyl)methyl]-N-(5-morpholin-4-ium-4-ylpentyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(5-morpholin-4-ium-4-ylpentyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(5-morpholin-4-ium-4-ylpentyl)triazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[5-(4-morpholin-4-iumyl)pentyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(5-morpholin-4-ium-4-ylpentyl)triazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(5-morpholin-4-ium-4-ylpentyl)triazole-4-carboxamide Formula: C19H27ClN5O2+ MolecularWeight: 392.90298

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCCCNC(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1COCC[NH+]1CCCCCNC(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H26ClN5O2/c20-17-7-3-2-6-16(17)14-25-15-18(22-23-25)19(26)21-8-4-1-5-9-24-10-12-27-13-11-24/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,26)/p+1