3-(3H-1,3-benzothiazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-quinone Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C22H20N2O3S/c25-18-9-8-14-12-15(21-23-17-6-2-3-7-19(17)28-21)22(26)27-20(14)16(18)13-24-10-4-1-5-11-24/h2-3,6-9,12,23H,1,4-5,10-11,13H2/p+1