methyl 3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate

Systemtic Name: methyl 3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate Openeye Name: methyl 3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-carbamoyl]benzoate CAS Name: 3-[[[1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylcarbamoyl]benzoate Traditional Name: 3-[[1-[2-(4-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=C(C=C2)F)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

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