N-(2-chloranyl-4-methyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-4-methyl-phenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-chloro-4-methylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-4-methyl-phenyl)acetamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-15-7-8-18(17(21)13-15)22-19(25)14-23-9-11-24(12-10-23)20(26)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1