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

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2,7-quinone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C23H22N2O3S/c1-14-5-4-10-25(12-14)13-17-19(26)9-8-15-11-16(23(27)28-21(15)17)22-24-18-6-2-3-7-20(18)29-22/h2-3,6-9,11,14,24H,4-5,10,12-13H2,1H3/p+1/t14-/m1/s1