ethanesulfonate; (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methyl-imidazol-3-ium-1-yl]ethyl]octadec-9-enamide

Systemtic Name: ethanesulfonate; (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methyl-imidazol-3-ium-1-yl]ethyl]octadec-9-enamide Openeye Name: ethanesulfonate; (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methyl-imidazol-3-ium-1-yl]ethyl]octadec-9-enamide CAS Name: ethanesulfonate; (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methyl-1-imidazol-3-iumyl]ethyl]-9-octadecenamide IUPAC Name: ethanesulfonate; (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methylimidazol-3-ium-1-yl]ethyl]octadec-9-enamide Traditional Name: (E)-N-[2-[2-[(E)-heptadec-8-enyl]-3-methyl-imidazol-3-ium-1-yl]ethyl]octadec-9-enamide esylate Formula: C43H81N3O4S MolecularWeight: 736.18594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=[N+](C=CN1CCNC(=O)CCCCCCCC=CCCCCCCCC)C.CCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=[N+](C=CN1CCNC(=O)CCCCCCC/C=C/CCCCCCCC)C.CCS(=O)(=O)[O-]

InChI

InChI=1S/C41H75N3O.C2H6O3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-37-44-39-38-43(3)41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-6(3,4)5/h18-21,38-39H,4-17,22-37H2,1-3H3;2H2,1H3,(H,3,4,5)/b20-18+,21-19+;