(1-azanyl-4-oxidanylidene-tetradec-13-en-3-yl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (1-azanyl-4-oxidanylidene-tetradec-13-en-3-yl)-trimethyl-azanium; methyl sulfate Openeye Name: [1-(2-aminoethyl)-2-oxo-dodec-11-enyl]-trimethyl-ammonium; methyl sulfate CAS Name: (1-amino-4-oxotetradec-13-en-3-yl)-trimethylammonium; methyl sulfate IUPAC Name: (1-amino-4-oxotetradec-13-en-3-yl)-trimethylazanium; methyl sulfate Traditional Name: [1-(2-aminoethyl)-2-keto-dodec-11-enyl]-trimethyl-ammonium; methyl sulfate Formula: C18H38N2O5S MolecularWeight: 394.56972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](C)(C)C(CCN)C(=O)CCCCCCCCC=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/h5,16H,1,6-15,18H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1