(S)-methyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium bromide

Systemtic Name: (S)-methyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium bromide Openeye Name: (S)-allyl-benzyl-[(1S)-1-benzyl-2-hydroxy-ethyl]-methyl-ammonium bromide CAS Name: (S)-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methyl-(phenylmethyl)-prop-2-enylammonium bromide IUPAC Name: (S)-benzyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methyl-prop-2-enylazanium bromide Traditional Name: (S)-allyl-benzyl-[(1S)-1-benzyl-2-hydroxy-ethyl]-methyl-ammonium bromide Formula: C20H26BrNO MolecularWeight: 376.33054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC=C)(CC1=CC=CC=C1)C(CC2=CC=CC=C2)CO.[Br-]

Isomeric SMILES

C[N@+](CC=C)(CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)CO.[Br-]

InChI

InChI=1S/C20H26NO.BrH/c1-3-14-21(2,16-19-12-8-5-9-13-19)20(17-22)15-18-10-6-4-7-11-18;/h3-13,20,22H,1,14-17H2,2H3;1H/q+1;/p-1/t20-,21-;/m0./s1