1-[6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-6-keto-hexyl]urea Formula: C19H30FN4O3+ MolecularWeight: 381.464903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29FN4O3/c1-27-17-7-6-16(20)13-15(17)14-23-9-11-24(12-10-23)18(25)5-3-2-4-8-22-19(21)26/h6-7,13H,2-5,8-12,14H2,1H3,(H3,21,22,26)/p+1