N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(1S)-2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl]acetamide Formula: C20H24BrN2O+ MolecularWeight: 388.32136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C([NH+]1C)CC(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC2=CC=CC=C2[C@@H]([NH+]1C)CC(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H23BrN2O/c1-20(2)13-14-6-4-5-7-17(14)18(23(20)3)12-19(24)22-16-10-8-15(21)9-11-16/h4-11,18H,12-13H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1