(S)-methyl-[(2S)-1-oxidanyl-4-phenyl-butan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium bromide

Systemtic Name: (S)-methyl-[(2S)-1-oxidanyl-4-phenyl-butan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium bromide Openeye Name: (S)-allyl-benzyl-[(1S)-1-(hydroxymethyl)-3-phenyl-propyl]-methyl-ammonium bromide CAS Name: (S)-[(2S)-1-hydroxy-4-phenylbutan-2-yl]-methyl-(phenylmethyl)-prop-2-enylammonium bromide IUPAC Name: (S)-benzyl-[(2S)-1-hydroxy-4-phenylbutan-2-yl]-methyl-prop-2-enylazanium bromide Traditional Name: (S)-allyl-benzyl-methyl-[(1S)-1-methylol-3-phenyl-propyl]ammonium bromide Formula: C21H28BrNO MolecularWeight: 390.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC=C)(CC1=CC=CC=C1)C(CCC2=CC=CC=C2)CO.[Br-]

Isomeric SMILES

C[N@+](CC=C)(CC1=CC=CC=C1)[C@@H](CCC2=CC=CC=C2)CO.[Br-]

InChI

InChI=1S/C21H28NO.BrH/c1-3-16-22(2,17-20-12-8-5-9-13-20)21(18-23)15-14-19-10-6-4-7-11-19;/h3-13,21,23H,1,14-18H2,2H3;1H/q+1;/p-1/t21-,22-;/m0./s1