(E)-3-carboxy-2-(trimethylazaniumyl)henicos-12-enoate

Systemtic Name: (E)-3-carboxy-2-(trimethylazaniumyl)henicos-12-enoate Openeye Name: (E)-3-carboxy-2-(trimethylammonio)henicos-12-enoate CAS Name: (E)-3-carboxy-2-(trimethylammonio)-12-heneicosenoate IUPAC Name: (E)-3-carboxy-2-(trimethylazaniumyl)henicos-12-enoate Traditional Name: (E)-3-carboxy-2-(trimethylammonio)heneicos-12-enoate Formula: C25H47NO4 MolecularWeight: 425.64498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)C(=O)O

InChI

InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24(27)28)23(25(29)30)26(2,3)4/h12-13,22-23H,5-11,14-21H2,1-4H3,(H-,27,28,29,30)/b13-12+