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

Systemtic Name: 2-[4-[(2-cyanoethanoylamino)methyl]-2-ethoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[4-[[(2-cyano-1-oxoethyl)amino]methyl]-2-ethoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]-2-ethoxy-phenoxy]ethyl-diethyl-ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-21(5-2)11-12-24-16-8-7-15(13-17(16)23-6-3)14-20-18(22)9-10-19/h7-8,13H,4-6,9,11-12,14H2,1-3H3,(H,20,22)/p+1