1-(4-fluorophenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(4-fluorophenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-(4-fluorophenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea CAS Name: 1-(4-fluorophenyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(4-fluorophenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-(4-fluorophenyl)-3-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]urea Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O/c1-23-8-10-24(11-9-23)17-7-2-14(12-20-17)13-21-18(25)22-16-5-3-15(19)4-6-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,25)/p+1