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

Systemtic Name: 1-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-3-phenyl-urea CAS Name: 1-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-3-phenylurea IUPAC Name: 1-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-3-phenylurea Traditional Name: 1-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-3-phenyl-urea Formula: C21H27N4O2+ MolecularWeight: 367.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c26-20(11-12-22-21(27)23-19-9-5-2-6-10-19)25-15-13-24(14-16-25)17-18-7-3-1-4-8-18/h1-10H,11-17H2,(H2,22,23,27)/p+1