1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol ethanoate hydrobromide

Systemtic Name: 1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol ethanoate hydrobromide Openeye Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-ol acetate hydrobromide CAS Name: 1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumol acetate hydrobromide IUPAC Name: 1-benzyl-1-methylpyrrolidin-1-ium-3-ol acetate hydrobromide Traditional Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-ol acetate hydrobromide Formula: C14H22BrNO3 MolecularWeight: 332.23338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+]1(CCC(C1)O)CC2=CC=CC=C2.Br

Isomeric SMILES

CC(=O)[O-].C[N+]1(CCC(C1)O)CC2=CC=CC=C2.Br

InChI

InChI=1S/C12H18NO.C2H4O2.BrH/c1-13(8-7-12(14)10-13)9-11-5-3-2-4-6-11;1-2(3)4;/h2-6,12,14H,7-10H2,1H3;1H3,(H,3,4);1H/q+1;;/p-1