1-[3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)propyl]urea CAS Name: 1-[3-oxo-3-(4-phenethyl-1-piperazin-4-iumyl)propyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)propyl]urea Traditional Name: 1-benzyl-3-[3-keto-3-(4-phenethylpiperazin-4-ium-1-yl)propyl]urea Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c28-22(11-13-24-23(29)25-19-21-9-5-2-6-10-21)27-17-15-26(16-18-27)14-12-20-7-3-1-4-8-20/h1-10H,11-19H2,(H2,24,25,29)/p+1