[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C16H26BrN3O3+2 MolecularWeight: 388.29994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N

InChI

InChI=1S/C16H24BrN3O3/c17-14-2-3-15(23-12-16(18)21)13(10-14)11-19-4-1-5-20-6-8-22-9-7-20/h2-3,10,19H,1,4-9,11-12H2,(H2,18,21)/p+2