1-[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea

Systemtic Name: 1-[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Openeye Name: 1-[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea CAS Name: 1-[2-(1-ethyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Traditional Name: 1-[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Formula: C17H23FN5O+ MolecularWeight: 332.395823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C17H22FN5O/c1-2-22-10-7-15(8-11-22)23-16(6-9-19-23)21-17(24)20-14-5-3-4-13(18)12-14/h3-6,9,12,15H,2,7-8,10-11H2,1H3,(H2,20,21,24)/p+1