methyl 1-(cyanomethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-(cyanomethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-(cyanomethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(cyanomethyl)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(cyanomethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(cyanomethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C9H15N2O2+ MolecularWeight: 183.2276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC#N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC#N

InChI

InChI=1S/C9H14N2O2/c1-13-9(12)8-2-5-11(6-3-8)7-4-10/h8H,2-3,5-7H2,1H3/p+1