N-(3-methylphenyl)-2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanamide Openeye Name: N-(m-tolyl)-2-oxo-2-piperazin-4-ium-1-yl-acetamide CAS Name: N-(3-methylphenyl)-2-oxo-2-(1-piperazin-4-iumyl)acetamide IUPAC Name: N-(3-methylphenyl)-2-oxo-2-piperazin-4-ium-1-ylacetamide Traditional Name: 2-keto-N-(m-tolyl)-2-piperazin-4-ium-1-yl-acetamide Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17N3O2/c1-10-3-2-4-11(9-10)15-12(17)13(18)16-7-5-14-6-8-16/h2-4,9,14H,5-8H2,1H3,(H,15,17)/p+1