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

Systemtic Name: 1-[5-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]urea Openeye Name: [5-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-oxo-pentyl]urea CAS Name: [5-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-5-oxopentyl]urea IUPAC Name: [5-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-oxopentyl]urea Traditional Name: [5-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-5-keto-pentyl]urea Formula: C18H28FN4O3+ MolecularWeight: 367.438323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O3/c1-26-16-6-5-15(19)12-14(16)13-22-8-10-23(11-9-22)17(24)4-2-3-7-21-18(20)25/h5-6,12H,2-4,7-11,13H2,1H3,(H3,20,21,25)/p+1