6-[(3-fluorophenyl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-[(3-fluorophenyl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-[(3-fluorophenyl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-[(3-fluorophenyl)methylamino]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3-fluorophenyl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-[(3-fluorobenzyl)amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C21H28FN4O+ MolecularWeight: 371.471623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NCC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O/c1-26-12-3-2-7-19(26)10-11-23-21(27)17-8-9-20(25-15-17)24-14-16-5-4-6-18(22)13-16/h4-6,8-9,13,15,19H,2-3,7,10-12,14H2,1H3,(H,23,27)(H,24,25)/p+1/t19-/m0/s1