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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-yl-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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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+](C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S/c1-6-14-11-15-21(28)19(24-25-17-9-7-8-10-18(17)30-24)22(13(2)3)29-23(15)16(20(14)27)12-26(4)5/h7-11,13,27H,6,12H2,1-5H3/p+1