3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indolin-2-one CAS Name: 3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-indolone IUPAC Name: 3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Traditional Name: 3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxindole Formula: C25H23BrFN4O+ MolecularWeight: 494.378723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=NC4=CC(=CC=C4)Br)C2=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=NC4=CC(=CC=C4)Br)C2=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22BrFN4O/c26-18-4-3-5-20(16-18)28-24-22-6-1-2-7-23(22)31(25(24)32)17-29-12-14-30(15-13-29)21-10-8-19(27)9-11-21/h1-11,16H,12-15,17H2/p+1