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

Systemtic Name: methyl 5-fluoranyl-3-[3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-fluoro-3-[3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-3-[3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[3-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24FN4O5+ MolecularWeight: 443.448163

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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)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H23FN4O5/c1-31-22(30)20-19(15-13-14(23)4-5-16(15)24-20)25-18(28)6-7-26-8-10-27(11-9-26)21(29)17-3-2-12-32-17/h2-5,12-13,24H,6-11H2,1H3,(H,25,28)/p+1