(1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H19BrNO2+ MolecularWeight: 349.24226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H18BrNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3/p+1/t17-/m0/s1