[3-(1,3-benzothiazol-2-yl)-2-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-4-16-18(21-22-14-7-5-6-8-17(14)27-21)19(25)12-9-10-15(24)13(11-23(2)3)20(12)26-16/h5-10,24H,4,11H2,1-3H3/p+1