3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one

Systemtic Name: 3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Openeye Name: 3-(allylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-1-(2,4,5-trimethylphenyl)-2-propen-1-one IUPAC Name: 3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Traditional Name: 3-(allylamino)-3-mercapto-2-pyridin-1-ium-1-yl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(=C(NCC=C)S)[N+]2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(=C(NCC=C)S)[N+]2=CC=CC=C2)C)C

InChI

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