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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O5S/c1-14(2)22-20(24-25-17-5-3-4-6-19(17)32-24)21(30)15-7-8-18(29)16(23(15)31-22)13-26(9-11-27)10-12-28/h3-8,14,27-29H,9-13H2,1-2H3/p+1