(2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-ethyl-piperidin-1-ium

Systemtic Name: (2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-ethyl-piperidin-1-ium Openeye Name: (2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-2-ethylpiperidin-1-ium IUPAC Name: (2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-ethylpiperidin-1-ium Traditional Name: (2S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-ethyl-piperidin-1-ium Formula: C21H38N3O3S+ MolecularWeight: 412.60972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CN=C(N2CCOC)S(=O)(=O)CC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3S/c1-3-19-11-7-8-12-23(19)16-20-15-22-21(24(20)13-14-27-2)28(25,26)17-18-9-5-4-6-10-18/h15,18-19H,3-14,16-17H2,1-2H3/p+1/t19-/m0/s1