N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[1-(2-thienylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S2+ MolecularWeight: 457.63042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H32N4O4S2/c1-3-22(4-2)18(25)16-21-11-13-23(14-12-21)20(26)17-7-9-24(10-8-17)30(27,28)19-6-5-15-29-19/h5-6,15,17H,3-4,7-14,16H2,1-2H3/p+1