(2S)-N,N-dimethyl-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N,N-dimethyl-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N,N-dimethyl-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N,N-dimethyl-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N5O+ MolecularWeight: 326.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-21(2)17(24)16(15-7-4-3-5-8-15)22-11-13-23(14-12-22)18-19-9-6-10-20-18/h3-10,16H,11-14H2,1-2H3/p+1/t16-/m0/s1