methyl 4-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-keto-butyric acid methyl ester Formula: C20H30FN2O3+ MolecularWeight: 365.462203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN2O3/c1-22(19(24)6-7-20(25)26-2)15-17-9-12-23(13-10-17)11-8-16-4-3-5-18(21)14-16/h3-5,14,17H,6-13,15H2,1-2H3/p+1