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

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]propionamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-17(27)19-4-8-21(9-5-19)24-22(28)10-11-25-12-14-26(15-13-25)16-18-2-6-20(23)7-3-18/h2-9H,10-16H2,1H3,(H,24,28)/p+1