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

Systemtic Name: (S)-methyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium bromide Openeye Name: (S)-allyl-benzyl-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-methyl-ammonium bromide CAS Name: (S)-[(2S)-1-hydroxy-4-methylpentan-2-yl]-methyl-(phenylmethyl)-prop-2-enylammonium bromide IUPAC Name: (S)-benzyl-[(2S)-1-hydroxy-4-methylpentan-2-yl]-methyl-prop-2-enylazanium bromide Traditional Name: (S)-allyl-benzyl-methyl-[(1S)-3-methyl-1-methylol-butyl]ammonium bromide Formula: C17H28BrNO MolecularWeight: 342.31432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO.BrH/c1-5-11-18(4,17(14-19)12-15(2)3)13-16-9-7-6-8-10-16;/h5-10,15,17,19H,1,11-14H2,2-4H3;1H/q+1;/p-1/t17-,18-;/m0./s1