2-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CC#N)OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CC#N)OC

InChI

InChI=1S/C16H22ClN3O3/c1-20(2)8-9-23-16-13(17)10-12(11-14(16)22-3)5-7-19-15(21)4-6-18/h10-11H,4-5,7-9H2,1-3H3,(H,19,21)/p+1