[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-butyl-azanium

Systemtic Name: [3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-butyl-azanium Openeye Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-butyl-ammonium CAS Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-butylammonium IUPAC Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-butylazanium Traditional Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-benzyl]-butyl-ammonium Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC#N)OC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC#N)OC

InChI

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