(2-hexadecylpyridin-1-ium-1-yl)methyl 4-(2-methylprop-2-enoylamino)dodecanoate chloride

Systemtic Name: (2-hexadecylpyridin-1-ium-1-yl)methyl 4-(2-methylprop-2-enoylamino)dodecanoate chloride Openeye Name: (2-hexadecylpyridin-1-ium-1-yl)methyl 4-(2-methylprop-2-enoylamino)dodecanoate chloride CAS Name: 4-[(2-methyl-1-oxoprop-2-enyl)amino]dodecanoic acid (2-hexadecyl-1-pyridin-1-iumyl)methyl ester chloride IUPAC Name: (2-hexadecylpyridin-1-ium-1-yl)methyl 4-(2-methylprop-2-enoylamino)dodecanoate chloride Traditional Name: 4-methacrylamidolauric acid (2-cetylpyridin-1-ium-1-yl)methyl ester chloride Formula: C38H67ClN2O3 MolecularWeight: 635.40318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=[N+]1COC(=O)CCC(CCCCCCCC)NC(=O)C(=C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=[N+]1COC(=O)CCC(CCCCCCCC)NC(=O)C(=C)C.[Cl-]

InChI

InChI=1S/C38H66N2O3.ClH/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-28-36-29-25-26-32-40(36)33-43-37(41)31-30-35(39-38(42)34(3)4)27-23-21-12-10-8-6-2;/h25-26,29,32,35H,3,5-24,27-28,30-31,33H2,1-2,4H3;1H