(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-morpholinopropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-morpholinopropyl)ammonium Formula: C15H24BrN2O3+ MolecularWeight: 360.26666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)O

InChI

InChI=1S/C15H23BrN2O3/c1-20-14-10-12(9-13(16)15(14)19)11-17-3-2-4-18-5-7-21-8-6-18/h9-10,17,19H,2-8,11H2,1H3/p+1