3-(2-methylheptadecan-3-yl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate

Systemtic Name: 3-(2-methylheptadecan-3-yl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: 3-(1-isopropylpentadecyl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: 3-(2-methylheptadecan-3-yl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate IUPAC Name: 3-(2-methylheptadecan-3-yl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: 1-(1-isopropylpentadecyl)-2-imidazolin-1-ium; methyl sulfate Formula: C22H46N2O4S MolecularWeight: 434.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C)C)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C)C)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H42N2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20(2)3)23-18-17-22-19-23;1-5-6(2,3)4/h19-21H,4-18H2,1-3H3;1H3,(H,2,3,4)