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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C25H29N2O3S+ MolecularWeight: 437.57436

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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+](CC)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-5-15-13-16-23(29)21(25-26-18-11-9-10-12-20(18)31-25)19(6-2)30-24(16)17(22(15)28)14-27(7-3)8-4/h9-13,28H,5-8,14H2,1-4H3/p+1