1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C21H35N4O3S+ MolecularWeight: 423.5926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C21H34N4O3S/c1-17(26)24-11-9-23(10-12-24)15-20-13-22-21(29(27,28)16-19-7-8-19)25(20)14-18-5-3-2-4-6-18/h13,18-19H,2-12,14-16H2,1H3/p+1