(2R)-N-(2-cyanophenyl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-cyanophenyl)propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-cyanophenyl)propionamide Formula: C27H30N4O+2 MolecularWeight: 426.5533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-21(27(32)29-25-15-9-8-14-24(25)20-28)30-16-18-31(19-17-30)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,21,26H,16-19H2,1H3,(H,29,32)/p+2/t21-/m1/s1