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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 5-methyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]isatin Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-3-28-20-7-5-4-6-19(20)24-12-10-23(11-13-24)15-25-18-9-8-16(2)14-17(18)21(26)22(25)27/h4-9,14H,3,10-13,15H2,1-2H3/p+1