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

Systemtic Name: ethyl 5-bromanyl-3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(4-carbethoxypiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H28BrN4O5+ MolecularWeight: 496.37482

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O5/c1-3-30-20(28)19-18(15-13-14(22)5-6-16(15)23-19)24-17(27)7-8-25-9-11-26(12-10-25)21(29)31-4-2/h5-6,13,23H,3-4,7-12H2,1-2H3,(H,24,27)/p+1