3-fluoranyl-N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C20H23FN5OS+ MolecularWeight: 400.492923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN5OS/c1-14-22-12-18(28-14)13-25-9-6-17(7-10-25)26-19(5-8-23-26)24-20(27)15-3-2-4-16(21)11-15/h2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,24,27)/p+1