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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-])C

Isomeric SMILES

CC1(CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-])C

InChI

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