4-(1-methyl-1-propyl-pyrrolidin-1-ium-2-yl)benzene-1,2-diol hydroxide

Systemtic Name: 4-(1-methyl-1-propyl-pyrrolidin-1-ium-2-yl)benzene-1,2-diol hydroxide Openeye Name: 4-(1-methyl-1-propyl-pyrrolidin-1-ium-2-yl)benzene-1,2-diol hydroxide CAS Name: 4-(1-methyl-1-propyl-2-pyrrolidin-1-iumyl)benzene-1,2-diol hydroxide IUPAC Name: 4-(1-methyl-1-propylpyrrolidin-1-ium-2-yl)benzene-1,2-diol hydroxide Traditional Name: 4-(1-methyl-1-propyl-pyrrolidin-1-ium-2-yl)pyrocatechol hydroxide Formula: C14H23NO3 MolecularWeight: 253.33732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC1C2=CC(=C(C=C2)O)O)C.[OH-]

Isomeric SMILES

CCC[N+]1(CCCC1C2=CC(=C(C=C2)O)O)C.[OH-]

InChI

InChI=1S/C14H21NO2.H2O/c1-3-8-15(2)9-4-5-12(15)11-6-7-13(16)14(17)10-11;/h6-7,10,12H,3-5,8-9H2,1-2H3,(H-,16,17);1H2