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

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-quinone Formula: C21H19N2O3S+ MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C21H18N2O3S/c24-17-8-7-13-11-14(20-22-16-5-1-2-6-18(16)27-20)21(25)26-19(13)15(17)12-23-9-3-4-10-23/h1-2,5-8,11,22H,3-4,9-10,12H2/p+1