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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-[2-(2-hydroxyethylamino)ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-[2-(2-hydroxyethylamino)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[2-(2-hydroxyethylamino)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[2-(2-hydroxyethylamino)ethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-[2-(2-hydroxyethylamino)ethyl]ammonium Formula: C15H25BrN3O4+ MolecularWeight: 391.2807

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCNCCO)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCNCCO)Br)OCC(=O)N

InChI

InChI=1S/C15H24BrN3O4/c1-2-22-13-8-11(9-19-4-3-18-5-6-20)7-12(16)15(13)23-10-14(17)21/h7-8,18-20H,2-6,9-10H2,1H3,(H2,17,21)/p+1