(2S)-N-(5-chloranylpyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-chloranylpyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-chloro-2-pyridyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloropyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C16H20ClN6O+ MolecularWeight: 347.8226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19ClN6O/c1-12(15(24)21-14-4-3-13(17)11-20-14)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11-12H,7-10H2,1H3,(H,20,21,24)/p+1/t12-/m0/s1