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

Systemtic Name: 1-[3-[4-(4-cyanophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-[4-(4-cyanophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-[4-(4-cyanophenyl)-1-piperazin-1-iumyl]propyl]-3-phenylurea IUPAC Name: 1-[3-[4-(4-cyanophenyl)piperazin-1-ium-1-yl]propyl]-3-phenylurea Traditional Name: 1-[3-[4-(4-cyanophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N5O/c22-17-18-7-9-20(10-8-18)26-15-13-25(14-16-26)12-4-11-23-21(27)24-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H2,23,24,27)/p+1