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

Systemtic Name: 3-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-chloro-4-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-6-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C17H25ClN3O3+ MolecularWeight: 354.8517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3/c1-21(2)9-4-10-24-17-14(18)11-13(12-15(17)23-3)6-8-20-16(22)5-7-19/h11-12H,4-6,8-10H2,1-3H3,(H,20,22)/p+1