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

Systemtic Name: 2,6-dimethyl-4-(5-phenyl-3H-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid Openeye Name: 2,6-dimethyl-4-(5-phenyl-3H-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid CAS Name: 2,6-dimethyl-4-(5-phenyl-3H-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid IUPAC Name: 2,6-dimethyl-4-(5-phenyl-3H-pyrrolo[1,2-c]imidazol-4-ium-2-yl)benzoic acid Traditional Name: 2,6-dimethyl-4-(5-phenyl-3H-pyrrol[1,2-c]imidazol-4-ium-2-yl)benzoic acid Formula: C21H19N2O2+ MolecularWeight: 331.38776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)N2C[N+]3=C(C=CC3=C2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)N2C[N+]3=C(C=CC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2/c1-14-10-18(11-15(2)20(14)21(24)25)22-12-17-8-9-19(23(17)13-22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/p+1