7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)chromen-2-one ethanoate

Systemtic Name: 7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)chromen-2-one ethanoate Openeye Name: 7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)chromen-2-one acetate CAS Name: 7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-1-benzopyran-2-one acetate IUPAC Name: 7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)chromen-2-one acetate Traditional Name: 7-(diethylamino)-3-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)coumarin acetate Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3[NH+](C4=CC=CC=C4N3C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3[NH+](C4=CC=CC=C4N3C)C.CC(=O)[O-]

InChI

InChI=1S/C22H25N3O2.C2H4O2/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-2(3)4/h7-14,21H,5-6H2,1-4H3;1H3,(H,3,4)