(2R)-N-methyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-methyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-methyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-methyl-N-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-methyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-methyl-N-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H24N5O+ MolecularWeight: 326.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O/c1-15(17(24)21(2)16-7-4-3-5-8-16)22-11-13-23(14-12-22)18-19-9-6-10-20-18/h3-10,15H,11-14H2,1-2H3/p+1/t15-/m1/s1