2-[2-(3-bromanylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(3-bromophenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(3-bromophenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(3-bromophenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(3-bromophenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C17H19BrNO+ MolecularWeight: 333.24286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H19BrNO/c18-16-6-3-7-17(12-16)20-11-10-19-9-8-14-4-1-2-5-15(14)13-19/h3,6-9,12-13H,1-2,4-5,10-11H2/q+1