(E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dimethylphenyl)-3-(piperonylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2=CC3=C(C=C2)OCO3)[N+]4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC3=C(C=C2)OCO3)\[N+]4=CC=CC=C4)/[O-])C

InChI

InChI=1S/C24H22N2O3S/c1-16-6-8-19(12-17(16)2)23(27)22(26-10-4-3-5-11-26)24(30)25-14-18-7-9-20-21(13-18)29-15-28-20/h3-13H,14-15H2,1-2H3,(H-,25,27,30)