2-[2-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-6-methoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC=C1OC)CCNC(=O)CC#N

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC=C1OC)CCNC(=O)CC#N

InChI

InChI=1S/C18H27N3O3/c1-4-21(5-2)13-14-24-18-15(7-6-8-16(18)23-3)10-12-20-17(22)9-11-19/h6-8H,4-5,9-10,12-14H2,1-3H3,(H,20,22)/p+1