4-chloranyl-7-fluoranyl-1-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4-chloranyl-7-fluoranyl-1-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 4-chloro-7-fluoro-1-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 4-chloro-7-fluoro-1-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 4-chloro-7-fluoro-1-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 4-chloro-7-fluoro-1-[[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]methyl]isatin Formula: C20H25ClFN4O3+ MolecularWeight: 423.888903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CN3C4=C(C=CC(=C4C(=O)C3=O)Cl)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CN3C4=C(C=CC(=C4C(=O)C3=O)Cl)F

InChI

InChI=1S/C20H24ClFN4O3/c21-14-4-5-15(22)18-17(14)19(28)20(29)26(18)13-24-10-8-23(9-11-24)12-16(27)25-6-2-1-3-7-25/h4-5H,1-3,6-13H2/p+1