N-(4-methylphenyl)-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(4-methylphenyl)-2-piperazin-4-ium-1-yl-benzamide Openeye Name: 2-piperazin-4-ium-1-yl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(4-methylphenyl)-2-piperazin-4-ium-1-ylbenzamide Traditional Name: 2-piperazin-4-ium-1-yl-N-(p-tolyl)benzamide Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

InChI

InChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)20-18(22)16-4-2-3-5-17(16)21-12-10-19-11-13-21/h2-9,19H,10-13H2,1H3,(H,20,22)/p+1