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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2-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(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

InChI

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