3-quinolin-1-ium-1-ylpropane-1,2-diol chloride

Systemtic Name: 3-quinolin-1-ium-1-ylpropane-1,2-diol chloride Openeye Name: 3-quinolin-1-ium-1-ylpropane-1,2-diol chloride CAS Name: 3-(1-quinolin-1-iumyl)propane-1,2-diol chloride IUPAC Name: 3-quinolin-1-ium-1-ylpropane-1,2-diol chloride Traditional Name: 3-quinolin-1-ium-1-ylpropane-1,2-diol chloride Formula: C12H14ClNO2 MolecularWeight: 239.69806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CC(CO)O.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CC(CO)O.[Cl-]

InChI

InChI=1S/C12H14NO2.ClH/c14-9-11(15)8-13-7-3-5-10-4-1-2-6-12(10)13;/h1-7,11,14-15H,8-9H2;1H/q+1;/p-1