trisodium N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline phosphate

Systemtic Name: trisodium N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline phosphate Openeye Name: trisodium N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline phosphate CAS Name: trisodium N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline phosphate IUPAC Name: trisodium N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline phosphate Traditional Name: trisodium benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine phosphate Formula: C17H19N3Na3O4P MolecularWeight: 429.293531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H19N3.3Na.H3O4P/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);;;;(H3,1,2,3,4)/q;3*+1;/p-3