1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium

Systemtic Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CN=C(N2CC3CCCO3)S(=O)(=O)CC4CC4

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CN=C(N2C[C@H]3CCCO3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C20H33N3O3S/c24-27(25,16-17-8-9-17)20-21-13-18(23(20)15-19-7-6-12-26-19)14-22-10-4-2-1-3-5-11-22/h13,17,19H,1-12,14-16H2/p+1/t19-/m1/s1