5-azanyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(m-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 5-amino-1-(3-methylphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(m-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC[NH+]3CCCC3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC[NH+]3CCCC3)N

InChI

InChI=1S/C16H22N6O/c1-12-5-4-6-13(11-12)22-15(17)14(19-20-22)16(23)18-7-10-21-8-2-3-9-21/h4-6,11H,2-3,7-10,17H2,1H3,(H,18,23)/p+1