1-(4-phenylmethoxyphenyl)-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(4-benzyloxyphenyl)-3-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-(4-phenylmethoxyphenyl)-3-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea Traditional Name: 1-(4-benzoxyphenyl)-3-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]urea Formula: C27H33N4O2+ MolecularWeight: 445.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c32-27(29-25-11-13-26(14-12-25)33-22-24-9-5-2-6-10-24)28-15-16-30-17-19-31(20-18-30)21-23-7-3-1-4-8-23/h1-14H,15-22H2,(H2,28,29,32)/p+1