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

Systemtic Name: N-tert-butyl-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N5O4S+ MolecularWeight: 452.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H33N5O4S/c1-21(2,3)23-19(27)16-24-11-13-25(14-12-24)20(28)17-6-9-26(10-7-17)31(29,30)18-5-4-8-22-15-18/h4-5,8,15,17H,6-7,9-14,16H2,1-3H3,(H,23,27)/p+1