1-[(2S)-2-(4-methoxyphenyl)-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2N(CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2N(CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-21-13-11-20(12-14-21)24-26(23(28)19-25-15-6-3-7-16-25)17-8-18-27(24)32(29,30)22-9-4-2-5-10-22/h2,4-5,9-14,24H,3,6-8,15-19H2,1H3/p+1/t24-/m0/s1