methyl hydrogen sulfate; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole

Systemtic Name: methyl hydrogen sulfate; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole Openeye Name: methyl hydrogen sulfate; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole CAS Name: 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole Traditional Name: 2-[(E)-octadec-9-enyl]-2-imidazoline; sulfuric acid methyl ester Formula: C22H44N2O4S MolecularWeight: 432.66076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=NCCN1.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=NCCN1.COS(=O)(=O)O

InChI

InChI=1S/C21H40N2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;1-5-6(2,3)4/h9-10H,2-8,11-20H2,1H3,(H,22,23);1H3,(H,2,3,4)/b10-9+;