1-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]piperidin-1-ium-4-one CAS Name: 1-[(2S)-1-oxo-1-(1-piperazinyl)propan-2-yl]-4-piperidin-1-iumone IUPAC Name: 1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-2-keto-1-methyl-2-piperazino-ethyl]piperidin-1-ium-4-one Formula: C12H22N3O2+ MolecularWeight: 240.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)[NH+]2CCC(=O)CC2

InChI

InChI=1S/C12H21N3O2/c1-10(14-6-2-11(16)3-7-14)12(17)15-8-4-13-5-9-15/h10,13H,2-9H2,1H3/p+1/t10-/m0/s1