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

Systemtic Name: (1S)-6,7-diethoxy-1-(4-phenylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-phenylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-phenylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-phenylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(4-phenylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C25H28NO2+ MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H27NO2/c1-3-27-23-16-21-14-15-26-25(22(21)17-24(23)28-4-2)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3/p+1/t25-/m0/s1