ethyl (3S)-1-(6-fluoranyl-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(6-fluoranyl-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(6-fluoro-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(6-fluoro-4-methyl-2-quinolin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(6-fluoro-4-methylquinolin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(6-fluoro-4-methyl-quinolin-1-ium-2-yl)nipecotic acid ethyl ester Formula: C18H22FN2O2+ MolecularWeight: 317.377883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C3=C(C=C(C=C3)F)C(=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=[NH+]C3=C(C=C(C=C3)F)C(=C2)C

InChI

InChI=1S/C18H21FN2O2/c1-3-23-18(22)13-5-4-8-21(11-13)17-9-12(2)15-10-14(19)6-7-16(15)20-17/h6-7,9-10,13H,3-5,8,11H2,1-2H3/p+1/t13-/m0/s1