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

Systemtic Name: dodecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate chloride Openeye Name: dodecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate chloride CAS Name: 1-[(Z)-octadec-9-enyl]-4-pyridin-1-iumcarboxylic acid dodecyl ester chloride IUPAC Name: dodecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate chloride Traditional Name: 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylic acid lauryl ester chloride Formula: C36H64ClNO2 MolecularWeight: 578.35186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H64NO2.ClH/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-31-37-32-29-35(30-33-37)36(38)39-34-28-26-24-22-14-12-10-8-6-4-2;/h16-17,29-30,32-33H,3-15,18-28,31,34H2,1-2H3;1H/q+1;/p-1/b17-16-;