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

Systemtic Name: (3S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C20H36N3O4S+ MolecularWeight: 414.58254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CCCCC2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CCCCC2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C20H35N3O4S/c1-26-12-11-23-18(14-22-10-6-9-19(15-22)27-2)13-21-20(23)28(24,25)16-17-7-4-3-5-8-17/h13,17,19H,3-12,14-16H2,1-2H3/p+1/t19-/m0/s1