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

Systemtic Name: methyl 5-chloranyl-3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H22ClN4O5+ MolecularWeight: 445.87618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5/c1-30-21(29)19-18(14-11-13(22)4-5-15(14)23-19)24-17(27)12-25-6-8-26(9-7-25)20(28)16-3-2-10-31-16/h2-5,10-11,23H,6-9,12H2,1H3,(H,24,27)/p+1