(1S)-6,7-diethoxy-1-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3)OC)C)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3)OC)C)OCC

InChI

InChI=1S/C21H27NO3/c1-5-24-19-12-15-9-10-22-21(17(15)13-20(19)25-6-2)16-7-8-18(23-4)14(3)11-16/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3/p+1/t21-/m0/s1