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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21ClFN3O2/c1-14-16(21)6-4-8-18(14)23-19(26)13-24-9-11-25(12-10-24)20(27)15-5-2-3-7-17(15)22/h2-8H,9-13H2,1H3,(H,23,26)/p+1