3-methyl-5-pyridin-1-ium-4-yl-penta-2,4-dienoic acid

Systemtic Name: 3-methyl-5-pyridin-1-ium-4-yl-penta-2,4-dienoic acid Openeye Name: 3-methyl-5-pyridin-1-ium-4-yl-penta-2,4-dienoic acid CAS Name: 3-methyl-5-(4-pyridin-1-iumyl)penta-2,4-dienoic acid IUPAC Name: 3-methyl-5-pyridin-1-ium-4-ylpenta-2,4-dienoic acid Traditional Name: 3-methyl-5-pyridin-1-ium-4-yl-penta-2,4-dienoic acid Formula: C11H12NO2+ MolecularWeight: 190.21848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C=CC1=CC=[NH+]C=C1

Isomeric SMILES

CC(=CC(=O)O)C=CC1=CC=[NH+]C=C1

InChI

InChI=1S/C11H11NO2/c1-9(8-11(13)14)2-3-10-4-6-12-7-5-10/h2-8H,1H3,(H,13,14)/p+1