2-pyrrolidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-pyrrolidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-pyrrolidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-pyrrolidin-1-iumyl)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-pyrrolidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-15-12-16(2)19(17(3)13-15)26(24,25)22-10-8-21(9-11-22)18(23)14-20-6-4-5-7-20/h12-13H,4-11,14H2,1-3H3/p+1