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

Systemtic Name: 3-[4-chloranyl-2-[(2-cyanoethanoylamino)methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-chloro-2-[[(2-cyano-1-oxoethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2/c1-19(2)8-3-9-21-14-5-4-13(16)10-12(14)11-18-15(20)6-7-17/h4-5,10H,3,6,8-9,11H2,1-2H3,(H,18,20)/p+1