1-[(Z)-octadec-9-enyl]-3-tridecyl-pyridin-1-ium chloride

Systemtic Name: 1-[(Z)-octadec-9-enyl]-3-tridecyl-pyridin-1-ium chloride Openeye Name: 1-[(Z)-octadec-9-enyl]-3-tridecyl-pyridin-1-ium chloride CAS Name: 1-[(Z)-octadec-9-enyl]-3-tridecylpyridin-1-ium chloride IUPAC Name: 1-[(Z)-octadec-9-enyl]-3-tridecylpyridin-1-ium chloride Traditional Name: 1-[(Z)-octadec-9-enyl]-3-tridecyl-pyridin-1-ium chloride Formula: C36H66ClN MolecularWeight: 548.36894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C[N+](=CC=C1)CCCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC1=C[N+](=CC=C1)CCCCCCCC/C=C\CCCCCCCC.[Cl-]

InChI

InChI=1S/C36H66N.ClH/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33-37-34-30-32-36(35-37)31-28-26-24-22-20-14-12-10-8-6-4-2;/h16-17,30,32,34-35H,3-15,18-29,31,33H2,1-2H3;1H/q+1;/p-1/b17-16-;