N-(3-chloranyl-2-methyl-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-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-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

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