1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-sec-butylphenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-butan-2-ylphenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-(prop-2-enylamino)-2-propen-1-one IUPAC Name: 1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-1-(4-sec-butylphenyl)prop-2-en-1-one Formula: C25H33N2OS+ MolecularWeight: 409.60732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2OS/c1-7-15-26-24(29)22(27-16-13-21(14-17-27)25(4,5)6)23(28)20-11-9-19(10-12-20)18(3)8-2/h7,9-14,16-18H,1,8,15H2,2-6H3,(H-,26,28,29)/p+1