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

Systemtic Name: N-[2-[1-[1-(4-fluoranyl-2-methyl-phenyl)piperidin-4-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[1-(4-fluoro-2-methyl-phenyl)-4-piperidyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[1-(4-fluoro-2-methyl-phenyl)-4-piperidyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C25H37FN5O+ MolecularWeight: 442.592583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2CCC(CC2)[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2CCC(CC2)[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC(C)C

InChI

InChI=1S/C25H36FN5O/c1-18(2)16-25(32)28-24-6-11-27-31(24)22-9-12-29(13-10-22)21-7-14-30(15-8-21)23-5-4-20(26)17-19(23)3/h4-6,11,17-18,21-22H,7-10,12-16H2,1-3H3,(H,28,32)/p+1