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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-yl-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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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+](CC)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S/c1-6-16-13-17-23(30)21(26-27-19-11-9-10-12-20(19)32-26)24(15(4)5)31-25(17)18(22(16)29)14-28(7-2)8-3/h9-13,15,29H,6-8,14H2,1-5H3/p+1