(1S)-6,7-diethoxy-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(p-tolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(p-tolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-4-22-18-12-16-10-11-21-20(15-8-6-14(3)7-9-15)17(16)13-19(18)23-5-2/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3/p+1/t20-/m0/s1