2-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H27BrN2+2 MolecularWeight: 387.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H25BrN2/c22-20-7-5-17(6-8-20)15-23-12-10-21(11-13-23)24-14-9-18-3-1-2-4-19(18)16-24/h1-8,21H,9-16H2/p+2