(E)-2-[2-(methylamino)-2-oxidanylidene-ethyl]tetradec-3-enoate; methylazanium

Systemtic Name: (E)-2-[2-(methylamino)-2-oxidanylidene-ethyl]tetradec-3-enoate; methylazanium Openeye Name: (E)-2-[2-(methylamino)-2-oxo-ethyl]tetradec-3-enoate; methylammonium CAS Name: (E)-2-[2-(methylamino)-2-oxoethyl]-3-tetradecenoate; methylammonium IUPAC Name: (E)-2-[2-(methylamino)-2-oxoethyl]tetradec-3-enoate; methylazanium Traditional Name: (E)-2-[2-keto-2-(methylamino)ethyl]tetradec-3-enoate; methylammonium Formula: C18H36N2O3 MolecularWeight: 328.49004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(CC(=O)NC)C(=O)[O-].C[NH3+]

Isomeric SMILES

CCCCCCCCCC/C=C/C(CC(=O)NC)C(=O)[O-].C[NH3+]

InChI

InChI=1S/C17H31NO3.CH5N/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14-16(19)18-2;1-2/h12-13,15H,3-11,14H2,1-2H3,(H,18,19)(H,20,21);2H2,1H3/b13-12+;