6,7-dimethoxy-2-[methoxy-(3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 6,7-dimethoxy-2-[methoxy-(3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 6,7-dimethoxy-2-[methoxy-(3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 6,7-dimethoxy-2-[methoxy-(3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 6,7-dimethoxy-2-[methoxy-(3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 6,7-dimethoxy-2-[methoxy-(3-propargyloxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(C3=CC(=CC=C3)OCC#C)OC)OC.Cl

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(C3=CC(=CC=C3)OCC#C)OC)OC.Cl

InChI

InChI=1S/C22H25NO4.ClH/c1-5-11-27-19-8-6-7-17(12-19)22(26-4)23-10-9-16-13-20(24-2)21(25-3)14-18(16)15-23;/h1,6-8,12-14,22H,9-11,15H2,2-4H3;1H