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

Systemtic Name: 1-[6-fluoranyl-3-(4-methoxyphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-fluoro-3-(4-methoxybenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-fluoro-3-[(4-methoxyphenyl)-oxomethyl]-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-fluoro-3-(4-methoxybenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-fluoro-3-p-anisoyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C23H23FN3O3+ MolecularWeight: 408.445423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

InChI

InChI=1S/C23H22FN3O3/c1-30-17-5-2-14(3-6-17)22(28)19-13-26-20-7-4-16(24)12-18(20)21(19)27-10-8-15(9-11-27)23(25)29/h2-7,12-13,15H,8-11H2,1H3,(H2,25,29)/p+1