1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-cyclohexyl-1,4-diazepan-4-ium Formula: C21H39N4O2S+ MolecularWeight: 411.62496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C21H38N4O2S/c1-3-5-14-25-20(17-22-21(25)28(26,27)4-2)18-23-12-9-13-24(16-15-23)19-10-7-6-8-11-19/h17,19H,3-16,18H2,1-2H3/p+1