N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C21H30FN4O2+ MolecularWeight: 389.486903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H29FN4O2/c1-21(2,3)20(27)24-19-7-10-23-26(19)16-8-11-25(12-9-16)14-15-5-6-17(28-4)13-18(15)22/h5-7,10,13,16H,8-9,11-12,14H2,1-4H3,(H,24,27)/p+1