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

Systemtic Name: 2-[5-[2-(2-cyanoethanoylamino)ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[5-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-2-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=CC(=C1)CCNC(=O)CC#N)OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC(=C1)CCNC(=O)CC#N)OC

InChI

InChI=1S/C16H23N3O3/c1-19(2)10-11-22-15-12-13(4-5-14(15)21-3)7-9-18-16(20)6-8-17/h4-5,12H,6-7,9-11H2,1-3H3,(H,18,20)/p+1