3-[3-[2-(2-cyanoethanoylamino)ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[2-(2-cyanoethanoylamino)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[2-[(2-cyano-1-oxoethyl)amino]ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CCNC(=O)CC#N

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)CCNC(=O)CC#N

InChI

InChI=1S/C16H23N3O2/c1-19(2)11-4-12-21-15-6-3-5-14(13-15)8-10-18-16(20)7-9-17/h3,5-6,13H,4,7-8,10-12H2,1-2H3,(H,18,20)/p+1