dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; propanoate

Systemtic Name: dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; propanoate Openeye Name: dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium; propanoate CAS Name: dimethyl-[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]ammonium; propanoate IUPAC Name: dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; propanoate Traditional Name: dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium; propionate Formula: C26H52N2O3 MolecularWeight: 440.70268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCC[NH+](C)C.CCC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[NH+](C)C.CCC(=O)[O-]

InChI

InChI=1S/C23H46N2O.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3(4)5/h11-12H,4-10,13-22H2,1-3H3,(H,24,26);2H2,1H3,(H,4,5)/b12-11-;