2-chloranyl-N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H25ClFN4O2+ MolecularWeight: 443.921603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl)F

InChI

InChI=1S/C23H24ClFN4O2/c1-31-18-7-6-16(21(25)14-18)15-28-12-9-17(10-13-28)29-22(8-11-26-29)27-23(30)19-4-2-3-5-20(19)24/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,27,30)/p+1