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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-2-propan-2-yl-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c1-12(2)20-18(22-23-15-7-5-6-8-17(15)28-22)19(26)13-9-10-16(25)14(11-24(3)4)21(13)27-20/h5-10,12,25H,11H2,1-4H3/p+1