3-[4-[(2-cyanoethanoylamino)methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[(2-cyanoethanoylamino)methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[[(2-cyanoacetyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[[(2-cyano-1-oxoethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[[(2-cyanoacetyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[[(2-cyanoacetyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)CNC(=O)CC#N)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)CNC(=O)CC#N)OC

InChI

InChI=1S/C16H23N3O3/c1-19(2)9-4-10-22-14-6-5-13(11-15(14)21-3)12-18-16(20)7-8-17/h5-6,11H,4,7,9-10,12H2,1-3H3,(H,18,20)/p+1