1-[(Z)-octadec-9-enyl]-4-pentyl-pyridin-1-ium chloride

Systemtic Name: 1-[(Z)-octadec-9-enyl]-4-pentyl-pyridin-1-ium chloride Openeye Name: 1-[(Z)-octadec-9-enyl]-4-pentyl-pyridin-1-ium chloride CAS Name: 1-[(Z)-octadec-9-enyl]-4-pentylpyridin-1-ium chloride IUPAC Name: 1-[(Z)-octadec-9-enyl]-4-pentylpyridin-1-ium chloride Traditional Name: 4-amyl-1-[(Z)-octadec-9-enyl]pyridin-1-ium chloride Formula: C28H50ClN MolecularWeight: 436.1563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+]1=CC=C(C=C1)CCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC[N+]1=CC=C(C=C1)CCCCC.[Cl-]

InChI

InChI=1S/C28H50N.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-29-26-23-28(24-27-29)22-20-6-4-2;/h12-13,23-24,26-27H,3-11,14-22,25H2,1-2H3;1H/q+1;/p-1/b13-12-;