5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: 5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: 5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: 5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: 5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: 5-[2-(4-bromophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C18H21BrN+ MolecularWeight: 331.27004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC=C(C=C3)Br

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN/c1-20-12-11-18-15(3-2-4-16(18)13-20)8-5-14-6-9-17(19)10-7-14/h6-7,9-13,15H,2-5,8H2,1H3/q+1