2,6-dimethyl-4-(3-oxidanylidene-5-phenyl-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid

Systemtic Name: 2,6-dimethyl-4-(3-oxidanylidene-5-phenyl-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid Openeye Name: 2,6-dimethyl-4-(3-oxo-5-phenyl-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid CAS Name: 2,6-dimethyl-4-(3-oxo-5-phenyl-2-pyrrolo[1,2-c]imidazol-4-iumyl)benzoic acid IUPAC Name: 2,6-dimethyl-4-(3-oxo-5-phenylpyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid Traditional Name: 4-(3-keto-5-phenyl-pyrrol[1,2-c]imidazol-4-ium-2-yl)-2,6-dimethyl-benzoic acid Formula: C21H17N2O3+ MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)N2C=C3C=CC(=[N+]3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)N2C=C3C=CC(=[N+]3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3/c1-13-10-17(11-14(2)19(13)20(24)25)22-12-16-8-9-18(23(16)21(22)26)15-6-4-3-5-7-15/h3-12H,1-2H3/p+1