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

Systemtic Name: 3-[4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl-(4-methylphenyl)amino]phenol Openeye Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methyl-anilino]phenol CAS Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenol IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenol Traditional Name: 3-[N-(2-imidazolin-1-ium-2-ylmethyl)-4-methyl-anilino]phenol Formula: C17H20N3O+ MolecularWeight: 282.3602

Click to see the large picture

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)/p+1