(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(3-morpholinopropyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(3-morpholinopropyl)ammonium Formula: C22H30BrN2O3+ MolecularWeight: 450.3892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CCCN2CCOCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CCCN2CCOCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29BrN2O3/c1-26-21-15-20(23)14-19(22(21)28-17-18-6-3-2-4-7-18)16-24-8-5-9-25-10-12-27-13-11-25/h2-4,6-7,14-15,24H,5,8-13,16-17H2,1H3/p+1