1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C22H35N5O2S+2 MolecularWeight: 433.6106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN=C(N3CC4CCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN=C(N3CC4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C22H33N5O2S/c1-18-7-6-10-21(24-18)26-13-11-25(12-14-26)17-20-15-23-22(30(2,28)29)27(20)16-19-8-4-3-5-9-19/h6-7,10,15,19H,3-5,8-9,11-14,16-17H2,1-2H3/p+2