[azanyl-(prop-2-enylamino)methylidene]-methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: [azanyl-(prop-2-enylamino)methylidene]-methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(allylamino)-amino-methylene]-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium CAS Name: [amino-(prop-2-enylamino)methylidene]-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium IUPAC Name: [amino-(prop-2-enylamino)methylidene]-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium Traditional Name: [(allylamino)-amino-methylene]-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[N+](=C(N)NCC=C)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)[N+](=C(N)NCC=C)C

InChI

InChI=1S/C14H21N3O/c1-4-10-16-14(15)17(3)11(2)13(18)12-8-6-5-7-9-12/h4-9,11,13,18H,1,10H2,2-3H3,(H2,15,16)/p+1/t11-,13-/m0/s1