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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C30H33BrN3O3+ MolecularWeight: 563.50532

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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)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C30H32BrN3O3/c1-4-37-30(35)29-23-18-28(36-3)24(31)19-26(23)34(22-11-6-5-7-12-22)27(29)20-32-14-16-33(17-15-32)25-13-9-8-10-21(25)2/h5-13,18-19H,4,14-17,20H2,1-3H3/p+1