5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium

Systemtic Name: 5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium Openeye Name: 5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium CAS Name: 5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium IUPAC Name: 5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium Traditional Name: 5,5-bis[2-(4-bromophenyl)ethyl]-2-methyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium Formula: C26H30Br2N+ MolecularWeight: 516.3311

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(CC1)C(CCC2)(CCC3=CC=C(C=C3)Br)CCC4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1=CC2=C(CC1)C(CCC2)(CCC3=CC=C(C=C3)Br)CCC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H30Br2N/c1-29-18-14-25-22(19-29)3-2-15-26(25,16-12-20-4-8-23(27)9-5-20)17-13-21-6-10-24(28)11-7-21/h4-11,19H,2-3,12-18H2,1H3/q+1