3-ethyl-2-(16-methylheptadecyl)-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2-(16-methylheptadecyl)-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2-(16-methylheptadecyl)-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2-(16-methylheptadecyl)-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-(16-methylheptadecyl)-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate Traditional Name: 1-ethyl-2-(16-methylheptadecyl)-2-imidazolin-1-ium; ethyl sulfate Formula: C25H52N2O4S MolecularWeight: 476.75638

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NCC1)CCCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(NCC1)CCCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C23H46N2.C2H6O4S/c1-4-25-21-20-24-23(25)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(2)3;1-2-6-7(3,4)5/h22H,4-21H2,1-3H3;2H2,1H3,(H,3,4,5)