(2R)-1-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]pipecolinamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N4O4S/c20-19(25)17-8-4-5-9-23(17)18(24)14-21-10-12-22(13-11-21)28(26,27)15-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H2,20,25)/p+1/t17-/m1/s1