(1S,3S)-5-bromanyl-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S,3S)-5-bromanyl-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S,3S)-1,3-diallyl-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S,3S)-5-bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S,3S)-5-bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S,3S)-1,3-diallyl-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C15H19BrN+ MolecularWeight: 293.22206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC2=C(C=CC=C2Br)C([NH2+]1)CC=C

Isomeric SMILES

C=CC[C@H]1CC2=C(C=CC=C2Br)[C@@H]([NH2+]1)CC=C

InChI

InChI=1S/C15H18BrN/c1-3-6-11-10-13-12(8-5-9-14(13)16)15(17-11)7-4-2/h3-5,8-9,11,15,17H,1-2,6-7,10H2/p+1/t11-,15-/m0/s1