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

Systemtic Name: 5-chloranyl-1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]isatin Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-2-28-19-6-4-3-5-18(19)24-11-9-23(10-12-24)14-25-17-8-7-15(22)13-16(17)20(26)21(25)27/h3-8,13H,2,9-12,14H2,1H3/p+1