1-methyl-3-(phenylmethyl)-2-undecyl-imidazol-1-ium; methyl sulfate

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-undecyl-imidazol-1-ium; methyl sulfate Openeye Name: 1-benzyl-3-methyl-2-undecyl-imidazol-3-ium; methyl sulfate CAS Name: 1-methyl-3-(phenylmethyl)-2-undecylimidazol-1-ium; methyl sulfate IUPAC Name: 1-benzyl-3-methyl-2-undecylimidazol-3-ium; methyl sulfate Traditional Name: 1-benzyl-3-methyl-2-undecyl-imidazol-3-ium; methyl sulfate Formula: C23H38N2O4S MolecularWeight: 438.62382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C=CN1CC2=CC=CC=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C=CN1CC2=CC=CC=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H35N2.CH4O4S/c1-3-4-5-6-7-8-9-10-14-17-22-23(2)18-19-24(22)20-21-15-12-11-13-16-21;1-5-6(2,3)4/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1