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

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-19-18(26)22-16(25)15(14-6-3-2-4-7-14)23-10-12-24(13-11-23)17-20-8-5-9-21-17/h2-9,15H,10-13H2,1H3,(H2,19,22,25,26)/p+1/t15-/m0/s1