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

Systemtic Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[[1-[2-(2-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=C2F)C(=O)CCC(=O)OC

Isomeric SMILES

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

InChI

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