(Z)-N-methoxy-N-methyl-18-(1-methylpyridin-1-ium-3-yl)octadec-11-en-13-yn-1-amine iodide

Systemtic Name: (Z)-N-methoxy-N-methyl-18-(1-methylpyridin-1-ium-3-yl)octadec-11-en-13-yn-1-amine iodide Openeye Name: (Z)-N-methoxy-N-methyl-18-(1-methylpyridin-1-ium-3-yl)octadec-11-en-13-yn-1-amine iodide CAS Name: (Z)-N-methoxy-N-methyl-18-(1-methyl-3-pyridin-1-iumyl)-1-octadec-11-en-13-ynamine iodide IUPAC Name: (Z)-N-methoxy-N-methyl-18-(1-methylpyridin-1-ium-3-yl)octadec-11-en-13-yn-1-amine iodide Traditional Name: methoxy-methyl-[(Z)-18-(1-methylpyridin-1-ium-3-yl)octadec-11-en-13-ynyl]amine iodide Formula: C26H43IN2O MolecularWeight: 526.53689

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CCCCC#CC=CCCCCCCCCCCN(C)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CCCCC#C/C=C\CCCCCCCCCCN(C)OC.[I-]

InChI

InChI=1S/C26H43N2O.HI/c1-27-23-20-22-26(25-27)21-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24-28(2)29-3;/h6,8,20,22-23,25H,4-5,7,9,11,13-19,21,24H2,1-3H3;1H/q+1;/p-1/b8-6-;