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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H24N2O3S MolecularWeight: 420.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C)[O-]

InChI

InChI=1S/C24H24N2O3S/c1-14-6-5-11-26(12-14)13-17-19(27)10-9-16-22(28)21(15(2)29-23(16)17)24-25-18-7-3-4-8-20(18)30-24/h3-4,7-10,14,27H,5-6,11-13H2,1-2H3