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

Systemtic Name: ethyl 6-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C25H31BrN3O4+ MolecularWeight: 517.43534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O4/c1-3-33-25(31)24-19-15-23(32-2)20(26)16-21(19)29(18-7-5-4-6-8-18)22(24)17-28-11-9-27(10-12-28)13-14-30/h4-8,15-16,30H,3,9-14,17H2,1-2H3/p+1