[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(3-morpholinopropyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(3-morpholinopropyl)ammonium Formula: C21H27Br2N2O2+ MolecularWeight: 499.25928

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)Br

Isomeric SMILES

C1COCCN1CCC[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C21H26Br2N2O2/c22-19-13-18(15-24-7-4-8-25-9-11-26-12-10-25)14-20(23)21(19)27-16-17-5-2-1-3-6-17/h1-3,5-6,13-14,24H,4,7-12,15-16H2/p+1