N-[3-[4-[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[4-[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[4-[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]-1-piperidyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[4-[4-[(4-fluorophenyl)thio]-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[4-[4-[(4-fluorophenyl)thio]piperidin-1-ium-1-yl]piperidino]phenyl]nicotinamide Formula: C28H32FN4OS+ MolecularWeight: 491.643283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1SC2=CC=C(C=C2)F)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CCC1SC2=CC=C(C=C2)F)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H31FN4OS/c29-22-6-8-26(9-7-22)35-27-12-17-32(18-13-27)24-10-15-33(16-11-24)25-5-1-4-23(19-25)31-28(34)21-3-2-14-30-20-21/h1-9,14,19-20,24,27H,10-13,15-18H2,(H,31,34)/p+1