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

Systemtic Name: (3S)-4-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-methyl-1-(2-methylpropyl)piperazin-4-ium-2-one Openeye Name: (3S)-1-isobutyl-4-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-methyl-1-(2-methylpropyl)-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methyl-1-(2-methylpropyl)piperazin-4-ium-2-one Traditional Name: (3S)-1-isobutyl-4-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Formula: C18H33N4O4S+ MolecularWeight: 401.54402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(CC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C)CC(C)C

InChI

InChI=1S/C18H32N4O4S/c1-14(2)12-21-9-8-20(15(3)17(21)23)13-16-11-19-18(27(5,24)25)22(16)7-6-10-26-4/h11,14-15H,6-10,12-13H2,1-5H3/p+1/t15-/m0/s1