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

Systemtic Name: diethyl-[[6-ethyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[6-ethyl-7-hydroxy-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[6-ethyl-7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-8-yl]methyl]ammonium Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)O

InChI

InChI=1S/C24H27N3O3/c1-5-15-12-16-22(29)18(24-25-19-10-8-9-11-20(19)26(24)4)14-30-23(16)17(21(15)28)13-27(6-2)7-3/h8-12,14,28H,5-7,13H2,1-4H3/p+1