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

Systemtic Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+](C)C)O

InChI

InChI=1S/C21H21N3O3/c1-4-12-9-13-19(26)15(21-22-16-7-5-6-8-17(16)23-21)11-27-20(13)14(18(12)25)10-24(2)3/h5-9,11,25H,4,10H2,1-3H3,(H,22,23)/p+1