N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-N-(phenylmethyl)aniline; methanesulfonate

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-N-(phenylmethyl)aniline; methanesulfonate Openeye Name: N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline; methanesulfonate CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-N-(phenylmethyl)aniline; methanesulfonate IUPAC Name: N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline; methanesulfonate Traditional Name: benzyl-(2-imidazolin-1-ium-2-ylmethyl)-phenyl-amine mesylate Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CN=C([NH2+]1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)[O-].C1CN=C([NH2+]1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3.CH4O3S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);1H3,(H,2,3,4)