N-[[7-fluoranyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-benzamide

Systemtic Name: N-[[7-fluoranyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-benzamide Openeye Name: N-[[7-fluoro-2-(4-hydroxy-1-piperidyl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-benzamide CAS Name: N-[[7-fluoro-2-(4-hydroxy-1-piperidinyl)-3-quinolin-1-iumyl]methyl]-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide IUPAC Name: N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide Traditional Name: N-[[7-fluoro-2-(4-hydroxypiperidino)quinolin-1-ium-3-yl]methyl]-4-methyl-N-p-anisyl-benzamide Formula: C31H33FN3O3+ MolecularWeight: 514.610423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OC)CC3=C([NH+]=C4C=C(C=CC4=C3)F)N5CCC(CC5)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OC)CC3=C([NH+]=C4C=C(C=CC4=C3)F)N5CCC(CC5)O

InChI

InChI=1S/C31H32FN3O3/c1-21-3-7-23(8-4-21)31(37)35(19-22-5-11-28(38-2)12-6-22)20-25-17-24-9-10-26(32)18-29(24)33-30(25)34-15-13-27(36)14-16-34/h3-12,17-18,27,36H,13-16,19-20H2,1-2H3/p+1