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

Systemtic Name: ethyl 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O4S/c1-3-27-19(24)22-11-9-21(10-12-22)15-17-13-20-18(28(2,25)26)23(17)14-16-7-5-4-6-8-16/h13,16H,3-12,14-15H2,1-2H3/p+1