3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indolin-2-one CAS Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-indolone IUPAC Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Traditional Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxindole Formula: C27H28FN4O+ MolecularWeight: 443.535823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5F)C

InChI

InChI=1S/C27H27FN4O/c1-19-15-20(2)17-21(16-19)29-26-22-7-3-5-9-24(22)32(27(26)33)18-30-11-13-31(14-12-30)25-10-6-4-8-23(25)28/h3-10,15-17H,11-14,18H2,1-2H3/p+1