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

Systemtic Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C21H23N3O3+2 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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