2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-8-fluoranyl-quinoline

Systemtic Name: 2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-8-fluoranyl-quinoline Openeye Name: 2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-8-fluoro-quinoline CAS Name: 2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]-8-fluoroquinoline IUPAC Name: 2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-8-fluoroquinoline Traditional Name: 2-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-8-fluoro-quinoline Formula: C26H31FN3O2+ MolecularWeight: 436.541643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)CC4=NC5=C(C=CC=C5F)C=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)CC4=NC5=C(C=CC=C5F)C=C4)OC

InChI

InChI=1S/C26H30FN3O2/c1-31-24-13-19-10-12-30(15-20(19)14-25(24)32-2)22-6-4-11-29(17-22)16-21-9-8-18-5-3-7-23(27)26(18)28-21/h3,5,7-9,13-14,22H,4,6,10-12,15-17H2,1-2H3/p+1/t22-/m0/s1