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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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