[3-[[(Z)-docos-13-enoyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-trimethyl-azanium

Systemtic Name: [3-[[(Z)-docos-13-enoyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-trimethyl-azanium Openeye Name: [1-carboxy-2-[[(Z)-docos-13-enoyl]amino]butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-1-oxo-3-[[(Z)-1-oxodocos-13-enyl]amino]pentan-2-yl]-trimethylammonium IUPAC Name: [3-[[(Z)-docos-13-enoyl]amino]-1-hydroxy-1-oxopentan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-2-[[(Z)-docos-13-enoyl]amino]butyl]-trimethyl-ammonium Formula: C30H59N2O3+ MolecularWeight: 495.80106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(CC)C(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)31-27(7-2)29(30(34)35)32(3,4)5/h14-15,27,29H,6-13,16-26H2,1-5H3,(H-,31,33,34,35)/p+1/b15-14-