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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C21H21N2O5S+ MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4C[NH+](CCO)CCO)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4C[NH+](CCO)CCO)O

InChI

InChI=1S/C21H20N2O5S/c24-9-7-23(8-10-25)11-14-17(26)6-5-13-19(27)15(12-28-20(13)14)21-22-16-3-1-2-4-18(16)29-21/h1-6,12,24-26H,7-11H2/p+1