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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)[O-]

InChI

InChI=1S/C23H22N2O3S/c1-14-6-4-5-11-25(14)12-16-19(26)10-9-15-21(27)17(13-28-22(15)16)23-24-18-7-2-3-8-20(18)29-23/h2-3,7-10,13-14,26H,4-6,11-12H2,1H3