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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-3-tosyl-hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C3=CC=C(C=C3)OC)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C3=CC=C(C=C3)OC)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O4S/c1-19-6-12-22(13-7-19)32(29,30)27-17-5-16-26(23(28)18-25-14-3-4-15-25)24(27)20-8-10-21(31-2)11-9-20/h6-13,24H,3-5,14-18H2,1-2H3/p+1/t24-/m0/s1