methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate Openeye Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate CAS Name: 4-[[[1-[2-(2-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylcarbamoyl]benzoate Traditional Name: 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoic acid methyl ester Formula: C24H30FN2O3+ MolecularWeight: 413.505003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H29FN2O3/c1-26(23(28)20-7-9-21(10-8-20)24(29)30-2)17-18-11-14-27(15-12-18)16-13-19-5-3-4-6-22(19)25/h3-10,18H,11-17H2,1-2H3/p+1