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

Systemtic Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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+](CC)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-4-14-11-15-21(28)17(23-24-18-9-7-8-10-19(18)25-23)13-29-22(15)16(20(14)27)12-26(5-2)6-3/h7-11,13,27H,4-6,12H2,1-3H3,(H,24,25)/p+1