ethyl 5-bromanyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H28BrN4O3+ MolecularWeight: 500.40812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27BrN4O3/c1-2-32-24(31)23-22(19-16-17(25)8-9-20(19)26-23)27-21(30)10-11-28-12-14-29(15-13-28)18-6-4-3-5-7-18/h3-9,16,26H,2,10-15H2,1H3,(H,27,30)/p+1