N,N-diethyl-2-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(1-piperidylsulfonyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(4-piperidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H34N4O4S/c1-3-24(4-2)21(27)18-23-14-16-25(17-15-23)22(28)19-8-10-20(11-9-19)31(29,30)26-12-6-5-7-13-26/h8-11H,3-7,12-18H2,1-2H3/p+1