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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C23H30N3O4S+ MolecularWeight: 444.567

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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+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2N(CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C23H29N3O4S/c1-30-20-12-10-19(11-13-20)23-25(22(27)18-24-14-5-6-15-24)16-7-17-26(23)31(28,29)21-8-3-2-4-9-21/h2-4,8-13,23H,5-7,14-18H2,1H3/p+1/t23-/m0/s1