3-[4-[2-(2-cyanoethanoylamino)ethyl]-2-ethoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[2-(2-cyanoethanoylamino)ethyl]-2-ethoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[2-[(2-cyanoacetyl)amino]ethyl]-2-ethoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-2-ethoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[2-[(2-cyanoacetyl)amino]ethyl]-2-ethoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[2-[(2-cyanoacetyl)amino]ethyl]-2-ethoxy-phenoxy]propyl-dimethyl-ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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