methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-phenethyl-azanium

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-phenethyl-azanium Openeye Name: (3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-phenethylammonium IUPAC Name: methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-phenethylazanium Traditional Name: (3-isobutyl-2-mesyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](C)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](C)CCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-15(2)13-21-17(12-19-18(21)24(4,22)23)14-20(3)11-10-16-8-6-5-7-9-16/h5-9,12,15H,10-11,13-14H2,1-4H3/p+1