ethyl 4-(cyclopropylmethyl)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(8-fluoro-2-quinolinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(8-fluoroquinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3F)C=C2)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3F)C=C2)CC4CC4

InChI

InChI=1S/C22H27FN2O2/c1-2-27-21(26)22(14-16-6-7-16)10-12-25(13-11-22)15-18-9-8-17-4-3-5-19(23)20(17)24-18/h3-5,8-9,16H,2,6-7,10-15H2,1H3/p+1