4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium Formula: C18H34N3O2S2+ MolecularWeight: 388.61146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCSCC2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCSCC2

InChI

InChI=1S/C18H33N3O2S2/c1-4-5-8-21-17(15-20-9-11-24-12-10-20)14-19-18(21)25(22,23)13-6-7-16(2)3/h14,16H,4-13,15H2,1-3H3/p+1