3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide chloride

Systemtic Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide chloride Openeye Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide chloride CAS Name: 3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide chloride IUPAC Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide chloride Traditional Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propionamide chloride Formula: C20H25ClFN3O MolecularWeight: 377.883403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F.[Cl-]

InChI

InChI=1S/C20H24FN3O.ClH/c1-16-5-4-6-17(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21;/h2-8,15H,9-14H2,1H3,(H,22,25);1H