methyl 5-fluoranyl-3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-fluoranyl-3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O3/c1-32-24(31)23-22(19-15-18(25)7-8-20(19)26-23)27-21(30)9-10-28-11-13-29(14-12-28)16-17-5-3-2-4-6-17/h2-8,15,26H,9-14,16H2,1H3,(H,27,30)/p+1