[(3S)-piperidin-1-ium-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-piperidin-1-ium-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3S)-piperidin-1-ium-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(3S)-3-piperidin-1-iumyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-piperidin-1-ium-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3S)-piperidin-1-ium-3-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C14H22N5O+ MolecularWeight: 276.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N5O/c20-13(12-3-1-4-15-11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h2,5-6,12,15H,1,3-4,7-11H2/p+1/t12-/m0/s1