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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C26H31N2O3S+ MolecularWeight: 451.60094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H30N2O3S/c1-15(2)12-28(13-16(3)4)14-19-21(29)11-10-18-24(30)23(17(5)31-25(18)19)26-27-20-8-6-7-9-22(20)32-26/h6-11,15-16,29H,12-14H2,1-5H3/p+1