[(3S)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]piperidin-1-ium-3-yl]methylammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCCC(C1)C[NH3+]

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCC[C@H](C1)C[NH3+]

InChI

InChI=1S/C12H25N3O/c1-3-10(2)14-12(16)9-15-6-4-5-11(7-13)8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/p+2/t10-,11-/m0/s1