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

Systemtic Name: 2-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)CC4=CC5=C(C=C4)OCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)CC4=CC5=C(C=C4)OCC5)OC

InChI

InChI=1S/C25H32N2O3/c1-28-24-13-19-7-10-27(16-21(19)14-25(24)29-2)22-4-3-9-26(17-22)15-18-5-6-23-20(12-18)8-11-30-23/h5-6,12-14,22H,3-4,7-11,15-17H2,1-2H3/p+1/t22-/m0/s1