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

Systemtic Name: 2-cyanoethyl-(2-ethoxy-2-oxidanylidene-ethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: 2-cyanoethyl-(2-ethoxy-2-oxo-ethyl)-(3-pyridylmethyl)ammonium CAS Name: 2-cyanoethyl-(2-ethoxy-2-oxoethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: 2-cyanoethyl-(2-ethoxy-2-oxoethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: 2-cyanoethyl-(2-ethoxy-2-keto-ethyl)-(3-pyridylmethyl)ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-2-18-13(17)11-16(8-4-6-14)10-12-5-3-7-15-9-12/h3,5,7,9H,2,4,8,10-11H2,1H3/p+1