[(3R)-1-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCCC(C1)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O/c1-10(2)7-14-12(16)9-15-5-3-4-11(6-13)8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/p+2/t11-/m1/s1