1-[3-(4-ethoxyphenyl)carbonyl-6-fluoranyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-ethoxyphenyl)carbonyl-6-fluoranyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-ethoxybenzoyl)-6-fluoro-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(4-ethoxyphenyl)-oxomethyl]-6-fluoro-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-ethoxybenzoyl)-6-fluoroquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-ethoxybenzoyl)-6-fluoro-quinolin-1-ium-4-yl]isonipecotamide Formula: C24H25FN3O3+ MolecularWeight: 422.472003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

InChI

InChI=1S/C24H24FN3O3/c1-2-31-18-6-3-15(4-7-18)23(29)20-14-27-21-8-5-17(25)13-19(21)22(20)28-11-9-16(10-12-28)24(26)30/h3-8,13-14,16H,2,9-12H2,1H3,(H2,26,30)/p+1