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

Systemtic Name: ethyl 5-bromanyl-3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H27BrFN4O3+ MolecularWeight: 518.398583

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrFN4O3/c1-2-33-24(32)23-22(19-15-16(25)3-8-20(19)27-23)28-21(31)9-10-29-11-13-30(14-12-29)18-6-4-17(26)5-7-18/h3-8,15,27H,2,9-14H2,1H3,(H,28,31)/p+1