1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-methyl-ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-methylammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-methylazanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-methyl-ammonium Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=C(N1CC2CCCO2)S(=O)(=O)CC3CC3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C[NH+](CC1=CN=C(N1C[C@@H]2CCCO2)S(=O)(=O)CC3CC3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H29N5O3S/c1-26(14-21-24-19-6-2-3-7-20(19)25-21)12-17-11-23-22(31(28,29)15-16-8-9-16)27(17)13-18-5-4-10-30-18/h2-3,6-7,11,16,18H,4-5,8-10,12-15H2,1H3,(H,24,25)/p+1/t18-/m0/s1