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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C16H26BrN3O4+2 MolecularWeight: 404.29934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC(=O)N

InChI

InChI=1S/C16H24BrN3O4/c1-22-14-9-12(8-13(17)16(14)24-11-15(18)21)10-19-2-3-20-4-6-23-7-5-20/h8-9,19H,2-7,10-11H2,1H3,(H2,18,21)/p+2