dimethyl-[(E,6S,7R,8R)-8-methyl-7-oxidanyl-5-oxidanylidene-dodec-10-en-6-yl]azanium

Systemtic Name: dimethyl-[(E,6S,7R,8R)-8-methyl-7-oxidanyl-5-oxidanylidene-dodec-10-en-6-yl]azanium Openeye Name: [(E,1S,2R,3R)-2-hydroxy-3-methyl-1-pentanoyl-hept-5-enyl]-dimethyl-ammonium CAS Name: [(E,6S,7R,8R)-7-hydroxy-8-methyl-5-oxododec-10-en-6-yl]-dimethylammonium IUPAC Name: [(E,6S,7R,8R)-7-hydroxy-8-methyl-5-oxododec-10-en-6-yl]-dimethylazanium Traditional Name: [(E,1S,2R,3R)-2-hydroxy-3-methyl-1-valeryl-hept-5-enyl]-dimethyl-ammonium Formula: C15H30NO2+ MolecularWeight: 256.4042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C(C(C)CC=CC)O)[NH+](C)C

Isomeric SMILES

CCCCC(=O)[C@H]([C@@H]([C@H](C)C/C=C/C)O)[NH+](C)C

InChI

InChI=1S/C15H29NO2/c1-6-8-10-12(3)15(18)14(16(4)5)13(17)11-9-7-2/h6,8,12,14-15,18H,7,9-11H2,1-5H3/p+1/b8-6+/t12-,14-,15-/m1/s1