3-[5-[2-(2-cyanoethanoylamino)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[5-[2-(2-cyanoethanoylamino)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-20(2)11-4-12-23-16-13-14(5-6-15(16)22-3)8-10-19-17(21)7-9-18/h5-6,13H,4,7-8,10-12H2,1-3H3,(H,19,21)/p+1