3-[2-chloranyl-4-[(2-cyanoethanoylamino)methyl]-6-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-chloranyl-4-[(2-cyanoethanoylamino)methyl]-6-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-chloro-4-[[(2-cyano-1-oxoethyl)amino]methyl]-6-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)CNC(=O)CC#N)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)CNC(=O)CC#N)OC

InChI

InChI=1S/C16H22ClN3O3/c1-20(2)7-4-8-23-16-13(17)9-12(10-14(16)22-3)11-19-15(21)5-6-18/h9-10H,4-5,7-8,11H2,1-3H3,(H,19,21)/p+1