(2S)-N-[2-[(1S)-1-oxidanylethyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-[(1S)-1-oxidanylethyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C19H25N5O2/c1-14(18(26)22-17-7-4-3-6-16(17)15(2)25)23-10-12-24(13-11-23)19-20-8-5-9-21-19/h3-9,14-15,25H,10-13H2,1-2H3,(H,22,26)/p+1/t14-,15-/m0/s1