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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 2-pyrrolidin-1-ium-1-yl-1-(4-tosylpiperazino)ethanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O3S/c1-15-4-6-16(7-5-15)24(22,23)20-12-10-19(11-13-20)17(21)14-18-8-2-3-9-18/h4-7H,2-3,8-14H2,1H3/p+1