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

Systemtic Name: N,N-diethyl-2-[4-[4-(phenylcarbamoylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[4-[[anilino(oxo)methyl]amino]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: N,N-diethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H31N5O3/c1-3-28(4-2)22(30)18-27-14-16-29(17-15-27)23(31)19-10-12-21(13-11-19)26-24(32)25-20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3,(H2,25,26,32)/p+1