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

Systemtic Name: 2-[2-[(2-cyanoethanoylamino)methyl]-5-methoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[[(2-cyanoacetyl)amino]methyl]-5-methoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(2-cyano-1-oxoethyl)amino]methyl]-5-methoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[[(2-cyanoacetyl)amino]methyl]-5-methoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[2-[[(2-cyanoacetyl)amino]methyl]-5-methoxy-phenoxy]ethyl-diethyl-ammonium Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-4-20(5-2)10-11-23-16-12-15(22-3)7-6-14(16)13-19-17(21)8-9-18/h6-7,12H,4-5,8,10-11,13H2,1-3H3,(H,19,21)/p+1