1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(2-furanylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(2-furfurylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H25N2O2S+ MolecularWeight: 393.5218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NCC2=CC=CO2)S)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NCC2=CC=CO2)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S/c1-23(2,3)18-11-9-17(10-12-18)21(26)20(25-13-5-4-6-14-25)22(28)24-16-19-8-7-15-27-19/h4-15H,16H2,1-3H3,(H-,24,26,28)/p+1