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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C23H25N2O5S+ MolecularWeight: 441.52

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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+](CCO)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-2-14-11-15-21(29)17(23-24-18-5-3-4-6-19(18)31-23)13-30-22(15)16(20(14)28)12-25(7-9-26)8-10-27/h3-6,11,13,26-28H,2,7-10,12H2,1H3/p+1