1-(3,4-dimethylphenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H21N2OS+ MolecularWeight: 325.44784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NCC=C)S)[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NCC=C)S)[N+]2=CC=CC=C2)C

InChI

InChI=1S/C19H20N2OS/c1-4-10-20-19(23)17(21-11-6-5-7-12-21)18(22)16-9-8-14(2)15(3)13-16/h4-9,11-13H,1,10H2,2-3H3,(H-,20,22,23)/p+1