ethyl 6-bromanyl-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H30BrN3O4+2 MolecularWeight: 504.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CCO

InChI

InChI=1S/C24H28BrN3O4/c1-2-32-24(31)23-18-14-22(30)19(25)15-20(18)28(17-6-4-3-5-7-17)21(23)16-27-10-8-26(9-11-27)12-13-29/h3-7,14-15,29-30H,2,8-13,16H2,1H3/p+2