[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-butyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-butyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]methyl-butyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-butylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-butylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-benzyl]-butyl-ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)N)OC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)N)OC

InChI

InChI=1S/C14H21BrN2O3/c1-3-4-5-17-8-10-6-12(19-2)13(7-11(10)15)20-9-14(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18)/p+1