N,N-diethyl-2-[4-[2-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[(2-benzoylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-3-26(4-2)22(28)18-25-14-16-27(17-15-25)24(30)21-13-9-8-12-20(21)23(29)19-10-6-5-7-11-19/h5-13H,3-4,14-18H2,1-2H3/p+1