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

Systemtic Name: 3-fluoranyl-N-[2-[1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3/c1-31-21-6-5-16(13-20(21)29)15-27-11-8-19(9-12-27)28-22(7-10-25-28)26-23(30)17-3-2-4-18(24)14-17/h2-7,10,13-14,19,29H,8-9,11-12,15H2,1H3,(H,26,30)/p+1