1-adamantyl-[[7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium Openeye Name: 1-adamantyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-3-quinolyl]methyl]ammonium CAS Name: 1-adamantyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium Traditional Name: 1-adamantyl-[[7-fluoro-2-[(3S)-3-methylolpiperidino]-3-quinolyl]methyl]ammonium Formula: C26H35FN3O+ MolecularWeight: 424.574003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C3C=CC(=CC3=N2)F)C[NH2+]C45CC6CC(C4)CC(C6)C5)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C3C=CC(=CC3=N2)F)C[NH2+]C45CC6CC(C4)CC(C6)C5)CO

InChI

InChI=1S/C26H34FN3O/c27-23-4-3-21-9-22(14-28-26-11-18-6-19(12-26)8-20(7-18)13-26)25(29-24(21)10-23)30-5-1-2-17(15-30)16-31/h3-4,9-10,17-20,28,31H,1-2,5-8,11-16H2/p+1/t17-,18?,19?,20?,26?/m0/s1