2-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-methylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-methylsulfonylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-methylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-mesylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H25N3O4S/c1-26(24,25)16-6-4-5-15(13-16)18(23)21-11-9-19(10-12-21)14-17(22)20-7-2-3-8-20/h4-6,13H,2-3,7-12,14H2,1H3/p+1