N'-(4-fluorophenyl)-N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-fluorophenyl)-N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-fluorophenyl)-N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-fluorophenyl)-N-[2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-fluorophenyl)-N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-fluorophenyl)-N-[2-(4-m-toluoylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C22H26FN4O3+ MolecularWeight: 413.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3/c1-16-3-2-4-17(15-16)22(30)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-19-7-5-18(23)6-8-19/h2-8,15H,9-14H2,1H3,(H,24,28)(H,25,29)/p+1