2,6-bis[[bis(phenylmethyl)amino]methyl]cyclohexan-1-one chloride

Systemtic Name: 2,6-bis[[bis(phenylmethyl)amino]methyl]cyclohexan-1-one chloride Openeye Name: 2,6-bis[(dibenzylamino)methyl]cyclohexanone chloride CAS Name: 2,6-bis[[bis(phenylmethyl)amino]methyl]-1-cyclohexanone chloride IUPAC Name: 2,6-bis[(dibenzylamino)methyl]cyclohexan-1-one chloride Traditional Name: 2,6-bis[(dibenzylamino)methyl]cyclohexanone chloride Formula: C36H40ClN2O- MolecularWeight: 552.1686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C36H40N2O.ClH/c39-36-34(28-37(24-30-14-5-1-6-15-30)25-31-16-7-2-8-17-31)22-13-23-35(36)29-38(26-32-18-9-3-10-19-32)27-33-20-11-4-12-21-33;/h1-12,14-21,34-35H,13,22-29H2;1H/p-1