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

Systemtic Name: 8-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]quinoline Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5)OC

InChI

InChI=1S/C26H31N3O2/c1-30-24-14-20-10-13-29(17-22(20)15-25(24)31-2)23-9-5-12-28(18-23)16-21-7-3-6-19-8-4-11-27-26(19)21/h3-4,6-8,11,14-15,23H,5,9-10,12-13,16-18H2,1-2H3/p+1/t23-/m0/s1