1-[(5R)-5-methyl-3-(4-methylphenyl)sulfonyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(5R)-5-methyl-3-(4-methylphenyl)sulfonyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(5R)-5-methyl-3-(p-tolylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(5R)-5-methyl-3-(4-methylphenyl)sulfonyl-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-methyl-3-tosyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CN1C(=O)C[NH+]2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CN(CN1C(=O)C[NH+]2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H27N3O3S/c1-15-6-8-17(9-7-15)25(23,24)20-12-16(2)21(14-20)18(22)13-19-10-4-3-5-11-19/h6-9,16H,3-5,10-14H2,1-2H3/p+1/t16-/m1/s1