3-(3H-1,3-benzothiazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-quinone Formula: C21H19N2O4S+ MolecularWeight: 395.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1COCC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C21H18N2O4S/c24-17-6-5-13-11-14(20-22-16-3-1-2-4-18(16)28-20)21(25)27-19(13)15(17)12-23-7-9-26-10-8-23/h1-6,11,22H,7-10,12H2/p+1