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

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(o-tolylmethyl)triazole-4-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O2/c1-15-5-2-3-6-16(15)13-23-14-17(20-21-23)18(24)19-7-4-8-22-9-11-25-12-10-22/h2-3,5-6,14H,4,7-13H2,1H3,(H,19,24)/p+1