1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)urea

Systemtic Name: 1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)urea Openeye Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)urea CAS Name: 1-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)urea Traditional Name: 1-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)urea Formula: C19H23FN5O2+ MolecularWeight: 372.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)18-15(4-3-7-21-18)13-22-19(27)23-17-6-2-5-16(20)12-17/h2-7,12H,8-11,13H2,1H3,(H2,22,23,27)/p+1