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

Systemtic Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C18H34N4O3S2+2 MolecularWeight: 418.61756

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)[NH+]3CCSCC3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)[NH+]3CCSCC3

InChI

InChI=1S/C18H32N4O3S2/c1-25-11-3-6-22-17(14-19-18(22)27(2,23)24)15-20-7-4-16(5-8-20)21-9-12-26-13-10-21/h14,16H,3-13,15H2,1-2H3/p+2