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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-2-isopropyl-3-(p-tolylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-2-isopropyl-3-tosyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C(C)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H]2C(C)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-5-4-6-12-21)13-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3/p+1/t20-/m0/s1