2-[4-[(2-cyanoethanoylamino)methyl]-2-ethoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(2-cyanoethanoylamino)methyl]-2-ethoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[(2-cyano-1-oxoethyl)amino]methyl]-2-ethoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CC#N)OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CC#N)OCC[NH+](C)C

InChI

InChI=1S/C16H23N3O3/c1-4-21-15-11-13(12-18-16(20)7-8-17)5-6-14(15)22-10-9-19(2)3/h5-6,11H,4,7,9-10,12H2,1-3H3,(H,18,20)/p+1