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

Systemtic Name: [2,6-dimethyl-4-(5-methyl-3-oxidanylidene-pyrrolo[1,2-c]imidazol-4-ium-2-yl)phenyl]phosphonic acid Openeye Name: [2,6-dimethyl-4-(5-methyl-3-oxo-pyrrolo[1,2-c]imidazol-4-ium-2-yl)phenyl]phosphonic acid CAS Name: [2,6-dimethyl-4-(5-methyl-3-oxo-2-pyrrolo[1,2-c]imidazol-4-iumyl)phenyl]phosphonic acid IUPAC Name: [2,6-dimethyl-4-(5-methyl-3-oxopyrrolo[1,2-c]imidazol-4-ium-2-yl)phenyl]phosphonic acid Traditional Name: [4-(3-keto-5-methyl-pyrrol[1,2-c]imidazol-4-ium-2-yl)-2,6-dimethyl-phenyl]phosphonic acid Formula: C15H16N2O4P+ MolecularWeight: 319.272301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CN(C2=O)C3=CC(=C(C(=C3)C)P(=O)(O)O)C)C=C1

Isomeric SMILES

CC1=[N+]2C(=CN(C2=O)C3=CC(=C(C(=C3)C)P(=O)(O)O)C)C=C1

InChI

InChI=1S/C15H15N2O4P/c1-9-6-13(7-10(2)14(9)22(19,20)21)16-8-12-5-4-11(3)17(12)15(16)18/h4-8H,1-3H3,(H-,19,20,21)/p+1