2-[4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4-benzyloxy-3,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4-benzoxy-3,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C26H36N3O5+ MolecularWeight: 470.58114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H35N3O5/c1-5-28(6-2)24(30)18-27-12-14-29(15-13-27)26(31)21-16-22(32-3)25(23(17-21)33-4)34-19-20-10-8-7-9-11-20/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3/p+1