(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25BrN2O2/c21-19-6-7-20(25-16-17-4-2-1-3-5-17)18(14-19)15-22-8-9-23-10-12-24-13-11-23/h1-7,14,22H,8-13,15-16H2/p+2