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2-[[(E)-docos-13-enoyl]amino]-2-(trimethylazaniumyl)pentanoate

2-[[(E)-docos-13-enoyl]amino]-2-(trimethylazaniumyl)pentanoate

Systemtic Name:2-[[(E)-docos-13-enoyl]amino]-2-(trimethylazaniumyl)pentanoate
Openeye Name:2-[[(E)-docos-13-enoyl]amino]-2-(trimethylammonio)pentanoate
CAS Name:2-[[(E)-1-oxodocos-13-enyl]amino]-2-(trimethylammonio)pentanoate
IUPAC Name:2-[[(E)-docos-13-enoyl]amino]-2-(trimethylazaniumyl)pentanoate
Traditional Name:2-[[(E)-docos-13-enoyl]amino]-2-(trimethylammonio)valerate
Formula: C30H58N2O3
MolecularWeight: 494.79312
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)NC(CCC)(C(=O)[O-])[N+](C)(C)C


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NC(CCC)(C(=O)[O-])[N+](C)(C)C


InChI

InChI=1S/C30H58N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(33)31-30(27-7-2,29(34)35)32(3,4)5/h14-15H,6-13,16-27H2,1-5H3,(H-,31,33,34,35)/b15-14+


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