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

Systemtic Name: N-phenyl-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4S/c29-22(25-20-5-2-1-3-6-20)18-26-13-15-27(16-14-26)23(30)19-8-11-28(12-9-19)33(31,32)21-7-4-10-24-17-21/h1-7,10,17,19H,8-9,11-16,18H2,(H,25,29)/p+1