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

Systemtic Name: (1S)-6,7-diethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-isopropylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-p-cumenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-5-24-20-13-18-11-12-23-22(19(18)14-21(20)25-6-2)17-9-7-16(8-10-17)15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/p+1/t22-/m0/s1