1-(2-cyanoethyl)-1-oxidanidyl-piperidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-1-oxidanidyl-piperidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-1-oxido-piperidin-1-ium-2-carboxylic acid CAS Name: 1-(2-cyanoethyl)-1-oxido-2-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-1-oxidopiperidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-1-oxido-piperidin-1-ium-2-carboxylic acid Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C(=O)O)(CCC#N)[O-]

Isomeric SMILES

C1CC[N+](C(C1)C(=O)O)(CCC#N)[O-]

InChI

InChI=1S/C9H14N2O3/c10-5-3-7-11(14)6-2-1-4-8(11)9(12)13/h8H,1-4,6-7H2,(H,12,13)