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

Systemtic Name: 4-methyl-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-(4-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium Openeye Name: 4-methyl-1-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-3-(p-tolylsulfonyl)propyl]piperidin-1-ium CAS Name: 4-methyl-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-(4-methyl-1-piperidin-1-iumyl)propyl]piperidin-1-ium IUPAC Name: 4-methyl-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-(4-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium Traditional Name: 4-methyl-1-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-3-tosyl-propyl]piperidin-1-ium Formula: C22H38N2O2S+2 MolecularWeight: 394.61432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)C)[NH+]3CCC(CC3)C

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](CS(=O)(=O)C2=CC=C(C=C2)C)[NH+]3CCC(CC3)C

InChI

InChI=1S/C22H36N2O2S/c1-18-4-6-22(7-5-18)27(25,26)17-21(24-14-10-20(3)11-15-24)16-23-12-8-19(2)9-13-23/h4-7,19-21H,8-17H2,1-3H3/p+2/t21-/m0/s1