[(E)-1-azanyl-4-oxidanylidene-tetradec-5-en-3-yl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [(E)-1-azanyl-4-oxidanylidene-tetradec-5-en-3-yl]-trimethyl-azanium; methyl sulfate Openeye Name: [(E)-1-(2-aminoethyl)-2-oxo-dodec-3-enyl]-trimethyl-ammonium; methyl sulfate CAS Name: [(E)-1-amino-4-oxotetradec-5-en-3-yl]-trimethylammonium; methyl sulfate IUPAC Name: [(E)-1-amino-4-oxotetradec-5-en-3-yl]-trimethylazanium; methyl sulfate Traditional Name: [(E)-1-(2-aminoethyl)-2-keto-dodec-3-enyl]-trimethyl-ammonium; methyl sulfate Formula: C18H38N2O5S MolecularWeight: 394.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)C(CCN)[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/C(=O)C(CCN)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H35N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-17(20)16(14-15-18)19(2,3)4;1-5-6(2,3)4/h12-13,16H,5-11,14-15,18H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b13-12+;