N-(4-chlorophenyl)-2-[4-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[4-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[4-[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H26ClFN4O2+2 MolecularWeight: 420.908143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H24ClFN4O2/c1-15-2-5-18(12-19(15)23)25-21(29)14-27-10-8-26(9-11-27)13-20(28)24-17-6-3-16(22)4-7-17/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)/p+2