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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C28H35N2O3S+ MolecularWeight: 479.6541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-7-19-12-20-26(32)24(28-29-22-10-8-9-11-23(22)34-28)18(6)33-27(20)21(25(19)31)15-30(13-16(2)3)14-17(4)5/h8-12,16-17,31H,7,13-15H2,1-6H3/p+1