N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24ClFN3O3+ MolecularWeight: 420.884963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O3/c1-14-11-18(19(29-2)12-16(14)22)24-20(27)13-25-7-9-26(10-8-25)21(28)15-5-3-4-6-17(15)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)/p+1