1-[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]-3-phenyl-urea

Systemtic Name: 1-[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]-3-phenyl-urea Openeye Name: 1-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]-3-phenyl-urea CAS Name: 1-[4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]phenyl]-3-phenylurea IUPAC Name: 1-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]-3-phenylurea Traditional Name: 1-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]-3-phenyl-urea Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c31-25(30-19-17-29(18-20-30)16-15-21-7-3-1-4-8-21)22-11-13-24(14-12-22)28-26(32)27-23-9-5-2-6-10-23/h1-14H,15-20H2,(H2,27,28,32)/p+1