(2S)-2-(4-aminophenyl)-4,4-dimethyl-morpholin-4-ium-2-ol bromide

Systemtic Name: (2S)-2-(4-aminophenyl)-4,4-dimethyl-morpholin-4-ium-2-ol bromide Openeye Name: (2S)-2-(4-aminophenyl)-4,4-dimethyl-morpholin-4-ium-2-ol bromide CAS Name: (2S)-2-(4-aminophenyl)-4,4-dimethyl-2-morpholin-4-iumol bromide IUPAC Name: (2S)-2-(4-aminophenyl)-4,4-dimethylmorpholin-4-ium-2-ol bromide Traditional Name: (2S)-2-(4-aminophenyl)-4,4-dimethyl-morpholin-4-ium-2-ol bromide Formula: C12H19BrN2O2 MolecularWeight: 303.19546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOC(C1)(C2=CC=C(C=C2)N)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCO[C@](C1)(C2=CC=C(C=C2)N)O)C.[Br-]

InChI

InChI=1S/C12H19N2O2.BrH/c1-14(2)7-8-16-12(15,9-14)10-3-5-11(13)6-4-10;/h3-6,15H,7-9,13H2,1-2H3;1H/q+1;/p-1/t12-;/m1./s1