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

Systemtic Name: 2-[1-[2-(2-cyanoethanoylamino)ethyl]naphthalen-2-yl]oxyethyl-diethyl-azanium Openeye Name: 2-[[1-[2-[(2-cyanoacetyl)amino]ethyl]-2-naphthyl]oxy]ethyl-diethyl-ammonium CAS Name: 2-[[1-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-2-naphthalenyl]oxy]ethyl-diethylammonium IUPAC Name: 2-[1-[2-[(2-cyanoacetyl)amino]ethyl]naphthalen-2-yl]oxyethyl-diethylazanium Traditional Name: 2-[1-[2-[(2-cyanoacetyl)amino]ethyl]-2-naphthoxy]ethyl-diethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-3-24(4-2)15-16-26-20-10-9-17-7-5-6-8-18(17)19(20)12-14-23-21(25)11-13-22/h5-10H,3-4,11-12,14-16H2,1-2H3,(H,23,25)/p+1