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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium Openeye Name: 1-[(2S)-2-piperidin-1-ium-1-yl-3-(p-tolylsulfonyl)propyl]piperidin-1-ium CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-(1-piperidin-1-iumyl)propyl]piperidin-1-ium IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ium-1-ylpropyl]piperidin-1-ium Traditional Name: 1-[(2S)-2-piperidin-1-ium-1-yl-3-tosyl-propyl]piperidin-1-ium Formula: C20H34N2O2S+2 MolecularWeight: 366.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C[NH+]2CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@H](C[NH+]2CCCCC2)[NH+]3CCCCC3

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+2/t19-/m0/s1