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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)O

InChI

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