3-pyridin-1-ium-4-yltetradecan-2-yl 2-methylprop-2-enoate chloride

Systemtic Name: 3-pyridin-1-ium-4-yltetradecan-2-yl 2-methylprop-2-enoate chloride Openeye Name: (1-methyl-2-pyridin-1-ium-4-yl-tridecyl) 2-methylprop-2-enoate chloride CAS Name: 2-methyl-2-propenoic acid 3-(4-pyridin-1-iumyl)tetradecan-2-yl ester chloride IUPAC Name: 3-pyridin-1-ium-4-yltetradecan-2-yl 2-methylprop-2-enoate chloride Traditional Name: 2-methylacrylic acid (1-methyl-2-pyridin-1-ium-4-yl-tridecyl) ester chloride Formula: C23H38ClNO2 MolecularWeight: 396.00632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=[NH+]C=C1)C(C)OC(=O)C(=C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=[NH+]C=C1)C(C)OC(=O)C(=C)C.[Cl-]

InChI

InChI=1S/C23H37NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-22(21-15-17-24-18-16-21)20(4)26-23(25)19(2)3;/h15-18,20,22H,2,5-14H2,1,3-4H3;1H