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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C25H29N2O5S+ MolecularWeight: 469.57316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-3-15-13-16-23(31)21(25-26-18-7-5-6-8-20(18)33-25)19(4-2)32-24(16)17(22(15)30)14-27(9-11-28)10-12-29/h5-8,13,28-30H,3-4,9-12,14H2,1-2H3/p+1