1-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C20H23FN4O3/c1-28-18-6-5-16(21)11-15(18)13-24-7-9-25(10-8-24)19(26)14-3-2-4-17(12-14)23-20(22)27/h2-6,11-12H,7-10,13H2,1H3,(H3,22,23,27)/p+1