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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-2-phenyl-3-(p-tolylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-2-phenyl-3-tosyl-imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H]2C3=CC=CC=C3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H29N3O3S/c1-19-10-12-21(13-11-19)30(28,29)26-17-16-25(23(26)20-8-4-2-5-9-20)22(27)18-24-14-6-3-7-15-24/h2,4-5,8-13,23H,3,6-7,14-18H2,1H3/p+1/t23-/m0/s1