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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(4-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-methyl-phenyl)acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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