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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C22H23N2O5S+ MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O5S/c1-13-19(22-23-16-4-2-3-5-18(16)30-22)20(28)14-6-7-17(27)15(21(14)29-13)12-24(8-10-25)9-11-26/h2-7,25-27H,8-12H2,1H3/p+1