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

Systemtic Name: 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol; methanesulfonic acid Openeye Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-anilino]phenol; methanesulfonic acid CAS Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid Traditional Name: 3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol; mesylic acid Formula: C19H27N3O7S2 MolecularWeight: 473.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C17H19N3O.2CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;2*1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);2*1H3,(H,2,3,4)