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

Systemtic Name: 2-[2-chloranyl-4-[(2-cyanoethanoylamino)methyl]-6-methoxy-phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-chloro-4-[[(2-cyano-1-oxoethyl)amino]methyl]-6-methoxyphenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxyphenoxy]ethyl-diethylazanium Traditional Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]ethyl-diethyl-ammonium Formula: C17H25ClN3O3+ MolecularWeight: 354.8517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3/c1-4-21(5-2)8-9-24-17-14(18)10-13(11-15(17)23-3)12-20-16(22)6-7-19/h10-11H,4-6,8-9,12H2,1-3H3,(H,20,22)/p+1