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

Systemtic Name: diethyl-[[3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-2-keto-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-8-yl]methyl]ammonium Formula: C22H25N3O3+2 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[N+](C4=CC=CC=C4N3)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[N+](C4=CC=CC=C4N3)C)O

InChI

InChI=1S/C22H23N3O3/c1-4-25(5-2)13-16-19(26)11-10-14-12-15(22(27)28-20(14)16)21-23-17-8-6-7-9-18(17)24(21)3/h6-12H,4-5,13H2,1-3H3,(H,23,26,27)/p+2