3-[4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl-(4-methylphenyl)amino]phenolate

Systemtic Name: 3-[4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl-(4-methylphenyl)amino]phenolate Openeye Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methyl-anilino]phenolate CAS Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate Traditional Name: 3-[N-(2-imidazolin-1-ium-2-ylmethyl)-4-methyl-anilino]phenolate Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=[NH+]CCN2)C3=CC(=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=[NH+]CCN2)C3=CC(=CC=C3)[O-]

InChI

InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)