methyl 5-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amino]-5-keto-valeric acid methyl ester Formula: C18H26FN2O3+ MolecularWeight: 337.409043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1CCC[NH+](C1)CC2=CC=CC=C2F

Isomeric SMILES

COC(=O)CCCC(=O)N[C@H]1CCC[NH+](C1)CC2=CC=CC=C2F

InChI

InChI=1S/C18H25FN2O3/c1-24-18(23)10-4-9-17(22)20-15-7-5-11-21(13-15)12-14-6-2-3-8-16(14)19/h2-3,6,8,15H,4-5,7,9-13H2,1H3,(H,20,22)/p+1/t15-/m0/s1