methyl 5-chloranyl-1-(4-fluorophenyl)-2-(pyrrolidin-2-ylmethoxy)indol-1-ium-1-carboxylate

Systemtic Name: methyl 5-chloranyl-1-(4-fluorophenyl)-2-(pyrrolidin-2-ylmethoxy)indol-1-ium-1-carboxylate Openeye Name: methyl 5-chloro-1-(4-fluorophenyl)-2-(pyrrolidin-2-ylmethoxy)indol-1-ium-1-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-2-(2-pyrrolidinylmethoxy)-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-1-(4-fluorophenyl)-2-(pyrrolidin-2-ylmethoxy)indol-1-ium-1-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-2-(pyrrolidin-2-ylmethoxy)indol-1-ium-1-carboxylic acid methyl ester Formula: C21H21ClFN2O3+ MolecularWeight: 403.854443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(C2=C(C=C(C=C2)Cl)C=C1OCC3CCCN3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)[N+]1(C2=C(C=C(C=C2)Cl)C=C1OCC3CCCN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21ClFN2O3/c1-27-21(26)25(18-7-5-16(23)6-8-18)19-9-4-15(22)11-14(19)12-20(25)28-13-17-3-2-10-24-17/h4-9,11-12,17,24H,2-3,10,13H2,1H3/q+1