3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-3-(piperonylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C20H17N2O3S2+ MolecularWeight: 397.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=C(C(=O)C3=CC=CS3)[N+]4=CC=CC=C4)S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=C(C(=O)C3=CC=CS3)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C20H16N2O3S2/c23-19(17-5-4-10-27-17)18(22-8-2-1-3-9-22)20(26)21-12-14-6-7-15-16(11-14)25-13-24-15/h1-11H,12-13H2,(H-,21,23,26)/p+1