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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](CC)CC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](CC)CC)O

InChI

InChI=1S/C23H24N2O3S/c1-4-14-11-15-21(27)17(23-24-18-9-7-8-10-19(18)29-23)13-28-22(15)16(20(14)26)12-25(5-2)6-3/h7-11,13,26H,4-6,12H2,1-3H3/p+1