[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propylchromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](C)C)O

InChI

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