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

Systemtic Name: 2-[5-[2-(2-cyanoethanoylamino)ethyl]-2-methoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[5-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-2-methoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-methoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[5-[2-[(2-cyanoacetyl)amino]ethyl]-2-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(=C1)CCNC(=O)CC#N)OC

Isomeric SMILES

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

InChI

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