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

Systemtic Name: ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(cyanomethyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C25H28BrN4O3+ MolecularWeight: 512.41882

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN4O3/c1-3-33-25(31)24-19-15-23(32-2)20(26)16-21(19)30(18-7-5-4-6-8-18)22(24)17-29-13-11-28(10-9-27)12-14-29/h4-8,15-16H,3,10-14,17H2,1-2H3/p+1