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

Systemtic Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(piperidin-1-ium-1-ylmethyl)piperidin-1-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)piperidin-1-ium CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(1-piperidin-1-iumylmethyl)piperidin-1-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(piperidin-1-ium-1-ylmethyl)piperidin-1-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)piperidin-1-ium Formula: C20H38N4O2S+2 MolecularWeight: 398.60632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H36N4O2S/c1-17(2)14-24-19(13-21-20(24)27(3,25)26)16-23-11-7-18(8-12-23)15-22-9-5-4-6-10-22/h13,17-18H,4-12,14-16H2,1-3H3/p+2