3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-16(26)17-5-7-19(8-6-17)23-21(27)9-10-24-11-13-25(14-12-24)20-4-2-3-18(22)15-20/h2-8,15H,9-14H2,1H3,(H,23,27)/p+1