3-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)N

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)N

InChI

InChI=1S/C18H19N3O3S/c1-20(2)13-5-7-21(8-6-13)16(18(19)25)17(22)12-3-4-14-15(11-12)24-10-9-23-14/h3-8,11H,9-10H2,1-2H3,(H2-,19,22,25)