(4-ethylpiperazin-4-ium-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(2R)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(2R)-1-tosylpyrrolidin-2-yl]methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H27N3O3S/c1-3-19-11-13-20(14-12-19)18(22)17-5-4-10-21(17)25(23,24)16-8-6-15(2)7-9-16/h6-9,17H,3-5,10-14H2,1-2H3/p+1/t17-/m1/s1