2,1,3-benzothiadiazol-5-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-methylammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C18H26N5O2S2+ MolecularWeight: 408.56134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H25N5O2S2/c1-4-6-9-23-15(11-19-18(23)27(24,25)5-2)13-22(3)12-14-7-8-16-17(10-14)21-26-20-16/h7-8,10-11H,4-6,9,12-13H2,1-3H3/p+1