2-[1-[(2-cyanoethanoylamino)methyl]naphthalen-2-yl]oxyethyl-diethyl-azanium

Systemtic Name: 2-[1-[(2-cyanoethanoylamino)methyl]naphthalen-2-yl]oxyethyl-diethyl-azanium Openeye Name: 2-[[1-[[(2-cyanoacetyl)amino]methyl]-2-naphthyl]oxy]ethyl-diethyl-ammonium CAS Name: 2-[[1-[[(2-cyano-1-oxoethyl)amino]methyl]-2-naphthalenyl]oxy]ethyl-diethylammonium IUPAC Name: 2-[1-[[(2-cyanoacetyl)amino]methyl]naphthalen-2-yl]oxyethyl-diethylazanium Traditional Name: 2-[1-[[(2-cyanoacetyl)amino]methyl]-2-naphthoxy]ethyl-diethyl-ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CC#N

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CC#N

InChI

InChI=1S/C20H25N3O2/c1-3-23(4-2)13-14-25-19-10-9-16-7-5-6-8-17(16)18(19)15-22-20(24)11-12-21/h5-10H,3-4,11,13-15H2,1-2H3,(H,22,24)/p+1