6-fluoranyl-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 6-fluoranyl-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 6-fluoro-1-[[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 6-fluoro-1-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 6-fluoro-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 6-fluoro-1-[[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C23H28FN3O2+2 MolecularWeight: 397.485723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

InChI

InChI=1S/C23H26FN3O2/c1-16(2)18-5-3-17(4-6-18)14-25-9-11-26(12-10-25)15-27-21-13-19(24)7-8-20(21)22(28)23(27)29/h3-8,13,16H,9-12,14-15H2,1-2H3/p+2