(1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23BrNO2+ MolecularWeight: 377.29542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO2/c1-3-22-17-11-14-9-10-21-19(13-5-7-15(20)8-6-13)16(14)12-18(17)23-4-2/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3/p+1/t19-/m1/s1