N-(3-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H22N4O/c1-15-5-4-7-16(13-15)20-18(23)22-11-9-21(10-12-22)14-17-6-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)/p+1