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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C16H26BrN2O4+ MolecularWeight: 390.29264

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OCC

InChI

InChI=1S/C16H25BrN2O4/c1-3-21-7-5-6-19-10-12-8-13(17)16(23-11-15(18)20)14(9-12)22-4-2/h8-9,19H,3-7,10-11H2,1-2H3,(H2,18,20)/p+1