N-(1H-imidazol-2-ylmethyl)-N-(phenylmethyl)cyclohexa-1,5-dien-1-amine phosphate

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-N-(phenylmethyl)cyclohexa-1,5-dien-1-amine phosphate Openeye Name: N-benzyl-N-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-amine phosphate CAS Name: N-(1H-imidazol-2-ylmethyl)-N-(phenylmethyl)-1-cyclohexa-1,5-dienamine phosphate IUPAC Name: N-benzyl-N-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-amine phosphate Traditional Name: benzyl-cyclohexa-1,5-dien-1-yl-(1H-imidazol-2-ylmethyl)amine phosphate Formula: C17H19N3O4P-3 MolecularWeight: 360.324221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)N(CC2=CC=CC=C2)CC3=NC=CN3.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1CC=C(C=C1)N(CC2=CC=CC=C2)CC3=NC=CN3.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H19N3.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/h1,3-5,7-12H,2,6,13-14H2,(H,18,19);(H3,1,2,3,4)/p-3