3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]chromene-2,7-quinone Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O)C

Isomeric SMILES

CC1(CCC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=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/h3-4,6-9,12,25H,5,10-11,13-14H2,1-2H3/p+1