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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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