[2-bromanyl-4-(cyanomethoxy)-5-ethoxy-phenyl]methyl-propyl-azanium

Systemtic Name: [2-bromanyl-4-(cyanomethoxy)-5-ethoxy-phenyl]methyl-propyl-azanium Openeye Name: [2-bromo-4-(cyanomethoxy)-5-ethoxy-phenyl]methyl-propyl-ammonium CAS Name: [2-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]methyl-propylammonium IUPAC Name: [2-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]methyl-propylazanium Traditional Name: [2-bromo-4-(cyanomethoxy)-5-ethoxy-benzyl]-propyl-ammonium Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC#N)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC#N)OCC

InChI

InChI=1S/C14H19BrN2O2/c1-3-6-17-10-11-8-13(18-4-2)14(9-12(11)15)19-7-5-16/h8-9,17H,3-4,6-7,10H2,1-2H3/p+1