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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-diethyl-ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C)O

InChI

InChI=1S/C22H22N2O3S/c1-4-24(5-2)12-15-17(25)11-10-14-20(26)19(13(3)27-21(14)15)22-23-16-8-6-7-9-18(16)28-22/h6-11,25H,4-5,12H2,1-3H3/p+1