3-methyl-2-(quinolin-1-ium-2-ylmethyl)-2H-furan-5-one chloride

Systemtic Name: 3-methyl-2-(quinolin-1-ium-2-ylmethyl)-2H-furan-5-one chloride Openeye Name: 3-methyl-2-(quinolin-1-ium-2-ylmethyl)-2H-furan-5-one chloride CAS Name: 3-methyl-2-(2-quinolin-1-iumylmethyl)-2H-furan-5-one chloride IUPAC Name: 3-methyl-2-(quinolin-1-ium-2-ylmethyl)-2H-furan-5-one chloride Traditional Name: 3-methyl-2-(quinolin-1-ium-2-ylmethyl)-2H-furan-5-one chloride Formula: C15H14ClNO2 MolecularWeight: 275.73016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC1CC2=[NH+]C3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CC1=CC(=O)OC1CC2=[NH+]C3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C15H13NO2.ClH/c1-10-8-15(17)18-14(10)9-12-7-6-11-4-2-3-5-13(11)16-12;/h2-8,14H,9H2,1H3;1H