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

Systemtic Name: (1S,3S)-5-bromanyl-1,3-bis(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S,3S)-5-bromo-1,3-bis(2-methylallyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S,3S)-5-bromo-1,3-bis(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S,3S)-5-bromo-1,3-bis(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S,3S)-5-bromo-1,3-bis(2-methylallyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H23BrN+ MolecularWeight: 321.27522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1CC2=C(C=CC=C2Br)C([NH2+]1)CC(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN/c1-11(2)8-13-10-15-14(6-5-7-16(15)18)17(19-13)9-12(3)4/h5-7,13,17,19H,1,3,8-10H2,2,4H3/p+1/t13-,17-/m0/s1