2-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-chloro-4-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-6-methoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CC#N)OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CC#N)OC

InChI

InChI=1S/C18H26ClN3O3/c1-4-22(5-2)10-11-25-18-15(19)12-14(13-16(18)24-3)7-9-21-17(23)6-8-20/h12-13H,4-7,9-11H2,1-3H3,(H,21,23)/p+1