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

Systemtic Name: ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(cyanomethyl)-1-piperazine-1,4-diiumyl]methyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H27BrN4O3+2 MolecularWeight: 451.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH+](CC3)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH+](CC3)CC#N

InChI

InChI=1S/C20H25BrN4O3/c1-4-28-20(26)19-14-11-18(27-3)15(21)12-16(14)23(2)17(19)13-25-9-7-24(6-5-22)8-10-25/h11-12H,4,6-10,13H2,1-3H3/p+2