2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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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=C3Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H24ClN3O2/c1-15-7-8-19(16(2)13-15)23-20(26)14-24-9-11-25(12-10-24)21(27)17-5-3-4-6-18(17)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1