3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium CAS Name: 3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 3,3-diethyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-2-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC(=C(C=C2C([NH2+]1)C3=CC=CC=C3)OC)OC)CC

Isomeric SMILES

CCC1(CC2=CC(=C(C=C2C([NH2+]1)C3=CC=CC=C3)OC)OC)CC

InChI

InChI=1S/C21H27NO2/c1-5-21(6-2)14-16-12-18(23-3)19(24-4)13-17(16)20(22-21)15-10-8-7-9-11-15/h7-13,20,22H,5-6,14H2,1-4H3/p+1