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

Systemtic Name: ethyl 1-[(8-fluoranylquinolin-2-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(8-fluoro-2-quinolyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(8-fluoro-2-quinolinyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(8-fluoroquinolin-2-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(8-fluoro-2-quinolyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H30FN2O3+ MolecularWeight: 437.526403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3F)C=C2)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3F)C=C2)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H29FN2O3/c1-2-31-25(30)26(15-18-32-22-8-4-3-5-9-22)13-16-29(17-14-26)19-21-12-11-20-7-6-10-23(27)24(20)28-21/h3-12H,2,13-19H2,1H3/p+1