1-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C20H23ClN4O3/c21-16-4-6-18(7-5-16)28-13-12-24-8-10-25(11-9-24)19(26)15-2-1-3-17(14-15)23-20(22)27/h1-7,14H,8-13H2,(H3,22,23,27)/p+1