2-[1-(cyanomethyl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 2-[1-(cyanomethyl)piperidin-1-ium-1-yl]propanoate Openeye Name: 2-[1-(cyanomethyl)piperidin-1-ium-1-yl]propanoate CAS Name: 2-[1-(cyanomethyl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 2-[1-(cyanomethyl)piperidin-1-ium-1-yl]propanoate Traditional Name: 2-[1-(cyanomethyl)piperidin-1-ium-1-yl]propionate Formula: C10H16N2O2 MolecularWeight: 196.24624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[N+]1(CCCCC1)CC#N

Isomeric SMILES

CC(C(=O)[O-])[N+]1(CCCCC1)CC#N

InChI

InChI=1S/C10H16N2O2/c1-9(10(13)14)12(8-5-11)6-3-2-4-7-12/h9H,2-4,6-8H2,1H3