(1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-olate

Systemtic Name: (1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-olate Openeye Name: (1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-olate CAS Name: (1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-propanolate IUPAC Name: (1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-olate Traditional Name: (1S)-2-(4-bromophenyl)-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-olate Formula: C19H22BrNO MolecularWeight: 360.28808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)Br)C([NH+]2CCC3=CC=CC=C3C2)[O-]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)Br)[C@@H]([NH+]2CCC3=CC=CC=C3C2)[O-]

InChI

InChI=1S/C19H21BrNO/c1-19(2,16-7-9-17(20)10-8-16)18(22)21-12-11-14-5-3-4-6-15(14)13-21/h3-10,18H,11-13H2,1-2H3/q-1/p+1/t18-/m0/s1