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

Systemtic Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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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=C4)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O3/c1-31-21-7-6-18(22(15-21)32-2)16-28-12-9-20(10-13-28)29-23(8-11-26-29)27-24(30)17-4-3-5-19(25)14-17/h3-8,11,14-15,20H,9-10,12-13,16H2,1-2H3,(H,27,30)/p+1