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

Systemtic Name: 1-[(2R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2R,5R)-2-isopropyl-5-methyl-3-(p-tolylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2R,5R)-2-isopropyl-5-methyl-3-tosyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(N1C(=O)C[NH+]2CCCCC2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CN([C@@H](N1C(=O)C[NH+]2CCCCC2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H33N3O3S/c1-16(2)21-23(28(26,27)19-10-8-17(3)9-11-19)14-18(4)24(21)20(25)15-22-12-6-5-7-13-22/h8-11,16,18,21H,5-7,12-15H2,1-4H3/p+1/t18-,21+/m1/s1