2-cyanoethyl-(2-methoxy-2-oxidanylidene-ethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2-cyanoethyl-(2-methoxy-2-oxidanylidene-ethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: 2-cyanoethyl-(2-methoxy-2-oxo-ethyl)-(3-pyridylmethyl)ammonium CAS Name: 2-cyanoethyl-(2-methoxy-2-oxoethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: 2-cyanoethyl-(2-methoxy-2-oxoethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: 2-cyanoethyl-(2-keto-2-methoxy-ethyl)-(3-pyridylmethyl)ammonium Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+](CCC#N)CC1=CN=CC=C1

Isomeric SMILES

COC(=O)C[NH+](CCC#N)CC1=CN=CC=C1

InChI

InChI=1S/C12H15N3O2/c1-17-12(16)10-15(7-3-5-13)9-11-4-2-6-14-8-11/h2,4,6,8H,3,7,9-10H2,1H3/p+1