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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(3-morpholinopropyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(3-morpholinopropyl)ammonium Formula: C23H32BrN2O3+ MolecularWeight: 464.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31BrN2O3/c1-2-28-22-16-20(17-25-9-6-10-26-11-13-27-14-12-26)15-21(24)23(22)29-18-19-7-4-3-5-8-19/h3-5,7-8,15-16,25H,2,6,9-14,17-18H2,1H3/p+1