N-[2-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(2-fluoro-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-(2-fluoro-5-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C21H30FN4O2+ MolecularWeight: 389.486903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O2/c1-15(2)12-21(27)24-20-6-9-23-26(20)17-7-10-25(11-8-17)14-16-13-18(28-3)4-5-19(16)22/h4-6,9,13,15,17H,7-8,10-12,14H2,1-3H3,(H,24,27)/p+1