1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: [3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]urea CAS Name: [3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]urea IUPAC Name: [3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]urea Traditional Name: [3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]urea Formula: C21H25F2N4O2+ MolecularWeight: 403.445606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CCNC(=O)N

InChI

InChI=1S/C21H24F2N4O2/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)27-13-11-26(12-14-27)19(28)9-10-25-21(24)29/h1-8,20H,9-14H2,(H3,24,25,29)/p+1