2-[[[(1R)-1-bromanyl-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]cyclohexan-1-one

Systemtic Name: 2-[[[(1R)-1-bromanyl-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]cyclohexan-1-one Openeye Name: 2-[[[(1R)-1-bromo-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]cyclohexanone CAS Name: 2-[[[(1R)-1-bromo-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]-1-cyclohexanone IUPAC Name: 2-[[[(1R)-1-bromo-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]cyclohexan-1-one Traditional Name: 2-[[[(1R)-1-bromo-4-methyl-1,2-dihydroisoquinolin-2-ium-3-yl]amino]methyl]cyclohexanone Formula: C17H22BrN2O+ MolecularWeight: 350.27338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH2+]C(C2=CC=CC=C12)Br)NCC3CCCCC3=O

Isomeric SMILES

CC1=C([NH2+][C@@H](C2=CC=CC=C12)Br)NCC3CCCCC3=O

InChI

InChI=1S/C17H21BrN2O/c1-11-13-7-3-4-8-14(13)16(18)20-17(11)19-10-12-6-2-5-9-15(12)21/h3-4,7-8,12,16,19-20H,2,5-6,9-10H2,1H3/p+1/t12?,16-/m0/s1