3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-4-keto-chromen-7-olate Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C19H16N2O3S/c1-21(2)9-12-15(22)8-7-11-17(23)13(10-24-18(11)12)19-20-14-5-3-4-6-16(14)25-19/h3-8,10,22H,9H2,1-2H3