1H-imidazol-1-ium; methyl [(E)-octadec-9-enyl] sulfate

Systemtic Name: 1H-imidazol-1-ium; methyl [(E)-octadec-9-enyl] sulfate Openeye Name: 1H-imidazol-1-ium; methyl [(E)-octadec-9-enyl] sulfate CAS Name: 1H-imidazol-1-ium; sulfuric acid methyl [(E)-octadec-9-enyl] ester IUPAC Name: 1H-imidazol-1-ium; methyl [(E)-octadec-9-enyl] sulfate Traditional Name: 1H-imidazol-1-ium; sulfuric acid methyl [(E)-octadec-9-enyl] ester Formula: C22H43N2O4S+ MolecularWeight: 431.65282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOS(=O)(=O)OC.C1=CN=C[NH2+]1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)OC.C1=CN=C[NH2+]1

InChI

InChI=1S/C19H38O4S.C3H4N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(20,21)22-2;1-2-5-3-4-1/h10-11H,3-9,12-19H2,1-2H3;1-3H,(H,4,5)/p+1/b11-10+;