1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-methylammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-methylazanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-methyl-ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=C(N1CC2CCCCC2)S(=O)(=O)C)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CC1=CN=C(N1CC2CCCCC2)S(=O)(=O)C)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H29N5O2S/c1-25(15-20-23-18-10-6-7-11-19(18)24-20)14-17-12-22-21(29(2,27)28)26(17)13-16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9,13-15H2,1-2H3,(H,23,24)/p+1