N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-(1-cyclohexyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-fluoro-benzamide Formula: C21H28FN4O+ MolecularWeight: 371.471623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H27FN4O/c22-17-6-4-5-16(15-17)21(27)24-20-9-12-23-26(20)19-10-13-25(14-11-19)18-7-2-1-3-8-18/h4-6,9,12,15,18-19H,1-3,7-8,10-11,13-14H2,(H,24,27)/p+1