2-[1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 2-[1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium Openeye Name: 2-[1-(6,7-dimethoxy-4,4-dimethyl-isochroman-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium CAS Name: 2-[1-(6,7-dimethoxy-4,4-dimethyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium IUPAC Name: 2-[1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium Traditional Name: 2-[1-(6,7-dimethoxy-4,4-dimethyl-isochroman-1-yl)ethyl]-2,6-dimethoxy-3,7-dihydro-1H-isoquinolin-2-ium Formula: C26H36NO5+ MolecularWeight: 442.56774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=CC(=C(C=C2C(CO1)(C)C)OC)OC)[N+]3(CC=C4C=C(CC=C4C3)OC)OC

Isomeric SMILES

CC(C1C2=CC(=C(C=C2C(CO1)(C)C)OC)OC)[N+]3(CC=C4C=C(CC=C4C3)OC)OC

InChI

InChI=1S/C26H36NO5/c1-17(27(31-7)11-10-18-12-20(28-4)9-8-19(18)15-27)25-21-13-23(29-5)24(30-6)14-22(21)26(2,3)16-32-25/h8,10,12-14,17,25H,9,11,15-16H2,1-7H3/q+1