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

Systemtic Name: 6,7-dimethoxy-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-26-21-11-18-7-10-25(15-19(18)12-22(21)27-2)20-6-4-9-24(16-20)14-17-5-3-8-23-13-17/h3,5,8,11-13,20H,4,6-7,9-10,14-16H2,1-2H3/p+1/t20-/m0/s1