N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C24H34FN4O+ MolecularWeight: 413.551363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H33FN4O/c1-18(2)6-4-7-19(3)17-28-14-11-22(12-15-28)29-23(10-13-26-29)27-24(30)20-8-5-9-21(25)16-20/h5-6,8-10,13,16,19,22H,4,7,11-12,14-15,17H2,1-3H3,(H,27,30)/p+1/t19-/m1/s1