4-[1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium

Systemtic Name: 4-[1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C18H34N4O2S2+2 MolecularWeight: 402.61816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)[NH+]3CCSCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)[NH+]3CCSCC3

InChI

InChI=1S/C18H32N4O2S2/c1-15(2)13-22-17(12-19-18(22)26(3,23)24)14-20-6-4-16(5-7-20)21-8-10-25-11-9-21/h12,15-16H,4-11,13-14H2,1-3H3/p+2