1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; iodanylmethane; hydrate

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; iodanylmethane; hydrate Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; iodomethane; hydrate CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; iodomethane; hydrate IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; iodomethane; hydrate Traditional Name: 6,7-dimethoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinoline; iodomethane; hydrate Formula: C22H32INO5 MolecularWeight: 517.39765

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC.CI.O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC.CI.O

InChI

InChI=1S/C21H27NO4.CH3I.H2O/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;1-2;/h6-7,11-13,17H,8-10H2,1-5H3;1H3;1H2