(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one Openeye Name: (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one CAS Name: (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-ethyl-2-piperazin-4-iumone IUPAC Name: (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-4-ium-2-one Traditional Name: (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one Formula: C20H35N4O4S+ MolecularWeight: 427.5813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=CN=C(N2CCOC)S(=O)(=O)CC3CCCCC3

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=CN=C(N2CCOC)S(=O)(=O)CC3CCCCC3

InChI

InChI=1S/C20H34N4O4S/c1-3-18-19(25)21-9-10-23(18)14-17-13-22-20(24(17)11-12-28-2)29(26,27)15-16-7-5-4-6-8-16/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1