ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(cyanomethyl)-1-piperazin-1-iumyl]methyl]-5-hydroxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H26BrN4O3+ MolecularWeight: 498.39224

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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+]4CCN(CC4)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN4O3/c1-2-32-24(31)23-18-14-22(30)19(25)15-20(18)29(17-6-4-3-5-7-17)21(23)16-28-12-10-27(9-8-26)11-13-28/h3-7,14-15,30H,2,9-13,16H2,1H3/p+1