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

Systemtic Name: 1-[(2S)-2-phenyl-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-hexahydropyrimidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-phenyl-hexahydropyrimidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCCN([C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-22(19-24-15-8-3-9-16-24)25-17-10-18-26(23(25)20-11-4-1-5-12-20)30(28,29)21-13-6-2-7-14-21/h1-2,4-7,11-14,23H,3,8-10,15-19H2/p+1/t23-/m0/s1