[(3S)-1-methylpiperidin-1-ium-3-yl] 3-azanylidenebutanoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-azanylidenebutanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-iminobutanoate CAS Name: 3-iminobutanoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-iminobutanoate Traditional Name: 3-iminobutyric acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C10H19N2O2+ MolecularWeight: 199.27006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)CC(=O)OC1CCC[NH+](C1)C

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O2/c1-8(11)6-10(13)14-9-4-3-5-12(2)7-9/h9,11H,3-7H2,1-2H3/p+1/t9-/m0/s1