1-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[3-(2-methylpropyl)-2-[[(2R)-2-oxolanyl]methylsulfonyl]-4-imidazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl]azepan-1-ium Formula: C19H34N3O3S+ MolecularWeight: 384.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2CCCO2)C[NH+]3CCCCCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C[C@H]2CCCO2)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H33N3O3S/c1-16(2)13-22-17(14-21-9-5-3-4-6-10-21)12-20-19(22)26(23,24)15-18-8-7-11-25-18/h12,16,18H,3-11,13-15H2,1-2H3/p+1/t18-/m1/s1