(3S)-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperidin-1-ium-3-carboxamide Formula: C16H25N6O2+ MolecularWeight: 333.4087

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)N

InChI

InChI=1S/C16H24N6O2/c17-15(24)13-3-1-6-20(11-13)12-14(23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2,4-5,13H,1,3,6-12H2,(H2,17,24)/p+1/t13-/m0/s1