(E)-(1,3-benzodioxol-5-ylmethylamino)-(4-methylideneoxonio-1H-quinolin-2-ylidene)methanolate

Systemtic Name: (E)-(1,3-benzodioxol-5-ylmethylamino)-(4-methylideneoxonio-1H-quinolin-2-ylidene)methanolate Openeye Name: (E)-(1,3-benzodioxol-5-ylmethylamino)-(4-methyleneoxonio-1H-quinolin-2-ylidene)methanolate CAS Name: (E)-(1,3-benzodioxol-5-ylmethylamino)-(4-methyleneoxonio-1H-quinolin-2-ylidene)methanolate IUPAC Name: (E)-(1,3-benzodioxol-5-ylmethylamino)-(4-methylideneoxonio-1H-quinolin-2-ylidene)methanolate Traditional Name: (E)-(4-methyleneoxonio-1H-quinolin-2-ylidene)-(piperonylamino)methanolate Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C=[O+]C1=CC(=C(NCC2=CC3=C(C=C2)OCO3)[O-])NC4=CC=CC=C41

Isomeric SMILES

C=[O+]C1=C/C(=C(/NCC2=CC3=C(C=C2)OCO3)\[O-])/NC4=CC=CC=C41

InChI

InChI=1S/C19H16N2O4/c1-23-17-9-15(21-14-5-3-2-4-13(14)17)19(22)20-10-12-6-7-16-18(8-12)25-11-24-16/h2-9,20-21H,1,10-11H2/b19-15+