1-[(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ium-1-yl-propan-2-yl]piperidine

Systemtic Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ium-1-yl-propan-2-yl]piperidine Openeye Name: 1-[(1S)-1-(piperidin-1-ium-1-ylmethyl)-2-(p-tolylsulfonyl)ethyl]piperidine CAS Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-(1-piperidin-1-iumyl)propan-2-yl]piperidine IUPAC Name: 1-[(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ium-1-ylpropan-2-yl]piperidine Traditional Name: 1-[(1S)-1-(piperidin-1-ium-1-ylmethyl)-2-tosyl-ethyl]piperidine Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C[NH+]2CCCCC2)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@H](C[NH+]2CCCCC2)N3CCCCC3

InChI

InChI=1S/C20H32N2O2S/c1-18-8-10-20(11-9-18)25(23,24)17-19(22-14-6-3-7-15-22)16-21-12-4-2-5-13-21/h8-11,19H,2-7,12-17H2,1H3/p+1/t19-/m0/s1