methyl 5-chloranyl-3-[2-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[2-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H24ClF3N3O4+ MolecularWeight: 510.91327

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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+]3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClF3N3O4/c1-35-22(33)21-20(17-12-16(25)5-6-18(17)29-21)30-19(32)13-31-9-7-23(34,8-10-31)14-3-2-4-15(11-14)24(26,27)28/h2-6,11-12,29,34H,7-10,13H2,1H3,(H,30,32)/p+1