(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methyl-azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methyl-azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]-methyl-ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-[(1R)-1-(2,5-dimethyl-4-thiazolyl)ethyl]-methylammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]-methyl-ammonium Formula: C18H31N4O2S2+ MolecularWeight: 399.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)C(C)C2=C(SC(=N2)C)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)[C@H](C)C2=C(SC(=N2)C)C

InChI

InChI=1S/C18H30N4O2S2/c1-7-9-10-22-16(11-19-18(22)26(23,24)8-2)12-21(6)13(3)17-14(4)25-15(5)20-17/h11,13H,7-10,12H2,1-6H3/p+1/t13-/m1/s1