(3S)-3-methyl-1-(2-methylpropyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-3-methyl-1-(2-methylpropyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3S)-1-isobutyl-4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-3-methyl-1-(2-methylpropyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3S)-3-methyl-1-(2-methylpropyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3S)-1-isobutyl-4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-3-methyl-piperazin-4-ium-2-one Formula: C18H33N4O3S+ MolecularWeight: 385.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC[NH+]1CC2=CN=C(N2CC(C)C)S(=O)(=O)C)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(CC[NH+]1CC2=CN=C(N2CC(C)C)S(=O)(=O)C)CC(C)C

InChI

InChI=1S/C18H32N4O3S/c1-13(2)10-21-8-7-20(15(5)17(21)23)12-16-9-19-18(26(6,24)25)22(16)11-14(3)4/h9,13-15H,7-8,10-12H2,1-6H3/p+1/t15-/m0/s1