N-(3-fluorophenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN5O4S+ MolecularWeight: 490.570863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H28FN5O4S/c24-19-3-1-4-20(15-19)26-22(30)17-27-11-13-28(14-12-27)23(31)18-6-9-29(10-7-18)34(32,33)21-5-2-8-25-16-21/h1-5,8,15-16,18H,6-7,9-14,17H2,(H,26,30)/p+1