1-[(2S)-1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ium-1-yl-propan-2-yl]pyrrolidine

Systemtic Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ium-1-yl-propan-2-yl]pyrrolidine Openeye Name: 1-[(1S)-1-(p-tolylsulfonylmethyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrrolidine CAS Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-(1-pyrrolidin-1-iumyl)propan-2-yl]pyrrolidine IUPAC Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ium-1-ylpropan-2-yl]pyrrolidine Traditional Name: 1-[(1S)-1-(pyrrolidin-1-ium-1-ylmethyl)-2-tosyl-ethyl]pyrrolidine Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C[NH+]2CCCC2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@H](C[NH+]2CCCC2)N3CCCC3

InChI

InChI=1S/C18H28N2O2S/c1-16-6-8-18(9-7-16)23(21,22)15-17(20-12-4-5-13-20)14-19-10-2-3-11-19/h6-9,17H,2-5,10-15H2,1H3/p+1/t17-/m0/s1