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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+](CCO)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+](CCO)CCO)O

InChI

InChI=1S/C24H26N2O5S/c1-3-15-12-16-22(30)20(24-25-18-6-4-5-7-19(18)32-24)14(2)31-23(16)17(21(15)29)13-26(8-10-27)9-11-28/h4-7,12,27-29H,3,8-11,13H2,1-2H3/p+1