2-bromanyl-N-[(Z)-1-(3-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(Z)-1-(3-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 2-bromo-N-[(Z)-2-(3-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]benzamide CAS Name: 2-bromo-N-[(Z)-1-(3-fluorophenyl)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 2-bromo-N-[(Z)-1-(3-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 2-bromo-N-[(Z)-2-(3-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]benzamide Formula: C21H22BrFN3O2+ MolecularWeight: 447.320683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)F)/NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrFN3O2/c1-25-9-11-26(12-10-25)21(28)19(14-15-5-4-6-16(23)13-15)24-20(27)17-7-2-3-8-18(17)22/h2-8,13-14H,9-12H2,1H3,(H,24,27)/p+1/b19-14-