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

Systemtic Name: 3-[3-[(2-cyanoethanoylamino)methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[[(2-cyano-1-oxoethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-18(2)9-4-10-20-14-6-3-5-13(11-14)12-17-15(19)7-8-16/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,17,19)/p+1