methyl 4-[[1-[2-[5-chloranyl-2-fluoranyl-4-[(1-methylindol-3-yl)carbonylamino]phenyl]ethanoyl]pyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-[2-[5-chloranyl-2-fluoranyl-4-[(1-methylindol-3-yl)carbonylamino]phenyl]ethanoyl]pyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-1-ium-1-yl]methoxy]cyclohexanecarboxylate CAS Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[[(1-methyl-3-indolyl)-oxomethyl]amino]phenyl]-1-oxoethyl]-1-pyrrolidin-1-iumyl]methoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylate Traditional Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-1-ium-1-yl]methoxy]cyclohexanecarboxylic acid methyl ester Formula: C31H36ClFN3O5+ MolecularWeight: 585.086043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)[N+]4(CCCC4)COC5CCC(CC5)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)[N+]4(CCCC4)COC5CCC(CC5)C(=O)OC)Cl

InChI

InChI=1S/C31H35ClFN3O5/c1-35-18-24(23-7-3-4-8-28(23)35)30(38)34-27-17-26(33)21(15-25(27)32)16-29(37)36(13-5-6-14-36)19-41-22-11-9-20(10-12-22)31(39)40-2/h3-4,7-8,15,17-18,20,22H,5-6,9-14,16,19H2,1-2H3/p+1