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

Systemtic Name: 1-(4-fluorophenyl)-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-(4-fluorophenyl)urea CAS Name: 1-(4-fluorophenyl)-3-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-(4-fluorophenyl)urea Traditional Name: 1-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-(4-fluorophenyl)urea Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)NC2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)NC2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H25FN4O/c21-18-6-8-19(9-7-18)23-20(26)22-10-11-24-12-14-25(15-13-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,22,23,26)/p+1