2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-2-phenyl-N-(p-tolyl)acetamide CAS Name: 2-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-2-phenyl-N-(p-tolyl)acetamide Formula: C25H35N3O+2 MolecularWeight: 393.5649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C25H33N3O/c1-20-12-14-22(15-13-20)26-25(29)24(21-8-4-2-5-9-21)28-18-16-27(17-19-28)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23-24H,3,6-7,10-11,16-19H2,1H3,(H,26,29)/p+2