methanesulfonate; 4-[3-[4-(2-methylimidazolidin-3-ium-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: methanesulfonate; 4-[3-[4-(2-methylimidazolidin-3-ium-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: methanesulfonate; 4-[3-[4-(2-methylimidazolidin-3-ium-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: methanesulfonate; 4-[3-[[4-(2-methyl-1-imidazolidin-3-iumyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: methanesulfonate; 4-[3-[4-(2-methylimidazolidin-3-ium-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[[4-(2-methylimidazolidin-3-ium-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide mesylate Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CC1[NH2+]CCN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1[NH2+]CCN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H27N3O2S.CH4O3S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22;1-5(2,3)4/h2-8,15-16,24H,9-14H2,1H3,(H2,23,26);1H3,(H,2,3,4)