2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidino-ethanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c21-17(19-8-4-5-9-19)14-18-10-12-20(13-11-18)24(22,23)15-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2/p+1