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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS/c1-5-10-21-20(24)18(22-11-6-7-14(2)13-22)19(23)17-9-8-15(3)16(4)12-17/h5-9,11-13H,1,10H2,2-4H3,(H-,21,23,24)/p+1