5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]isoquinoline

Systemtic Name: 5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]isoquinoline Openeye Name: 5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]methyl]isoquinoline CAS Name: 5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]methyl]isoquinoline IUPAC Name: 5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]isoquinoline Traditional Name: 5-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]methyl]isoquinoline Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=CC5=C4C=CN=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCCN(C3)CC4=CC=CC5=C4C=CN=C5)OC

InChI

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