N-(2-phenylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-phenylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-phenylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-phenylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-phenylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-phenylphenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C23H26N5O+ MolecularWeight: 388.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C23H25N5O/c29-22(26-21-10-5-4-9-20(21)19-7-2-1-3-8-19)11-14-27-15-17-28(18-16-27)23-24-12-6-13-25-23/h1-10,12-13H,11,14-18H2,(H,26,29)/p+1