3-[4-[2-(2-cyanoethanoylamino)ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[2-(2-cyanoethanoylamino)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[2-[(2-cyano-1-oxoethyl)amino]ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[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=C(C=C1)CCNC(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-19(2)12-3-13-21-15-6-4-14(5-7-15)9-11-18-16(20)8-10-17/h4-7H,3,8-9,11-13H2,1-2H3,(H,18,20)/p+1