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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-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)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C26H31N2O5S+ MolecularWeight: 483.59974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5S/c1-4-16-13-17-23(32)21(26-27-19-7-5-6-8-20(19)34-26)24(15(2)3)33-25(17)18(22(16)31)14-28(9-11-29)10-12-30/h5-8,13,15,29-31H,4,9-12,14H2,1-3H3/p+1