1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-fluoroindole-2,3-dione Traditional Name: 6-fluoro-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]isatin Formula: C21H23FN3O3+ MolecularWeight: 384.424023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

InChI

InChI=1S/C21H22FN3O3/c1-2-28-19-6-4-3-5-17(19)24-11-9-23(10-12-24)14-25-18-13-15(22)7-8-16(18)20(26)21(25)27/h3-8,13H,2,9-12,14H2,1H3/p+1