trimethyl-[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-(2-methylpropoxy)-4-oxidanylidene-butyl]azanium iodide

Systemtic Name: trimethyl-[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-(2-methylpropoxy)-4-oxidanylidene-butyl]azanium iodide Openeye Name: [(2R)-4-isobutoxy-4-oxo-2-(p-tolylsulfonylamino)butyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-(2-methylpropoxy)-4-oxobutyl]ammonium iodide IUPAC Name: trimethyl-[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-(2-methylpropoxy)-4-oxobutyl]azanium iodide Traditional Name: [(2R)-4-isobutoxy-4-keto-2-(tosylamino)butyl]-trimethyl-ammonium iodide Formula: C18H31IN2O4S MolecularWeight: 498.41921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OCC(C)C)C[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(=O)OCC(C)C)C[N+](C)(C)C.[I-]

InChI

InChI=1S/C18H31N2O4S.HI/c1-14(2)13-24-18(21)11-16(12-20(4,5)6)19-25(22,23)17-9-7-15(3)8-10-17;/h7-10,14,16,19H,11-13H2,1-6H3;1H/q+1;/p-1/t16-;/m1./s1