3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])CC)C(=O)C(=CO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])CC)C(=O)C(=CO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N2O3S/c1-3-16-13-18-24(30)20(26-27-21-10-5-6-11-22(21)32-26)15-31-25(18)19(23(16)29)14-28-12-8-7-9-17(28)4-2/h5-6,10-11,13,15,17,29H,3-4,7-9,12,14H2,1-2H3