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3-pyridin-1-ium-1-yloctadecan-2-yl 2-methylprop-2-enoate

3-pyridin-1-ium-1-yloctadecan-2-yl 2-methylprop-2-enoate

Systemtic Name:3-pyridin-1-ium-1-yloctadecan-2-yl 2-methylprop-2-enoate
Openeye Name:(1-methyl-2-pyridin-1-ium-1-yl-heptadecyl) 2-methylprop-2-enoate
CAS Name:2-methyl-2-propenoic acid 3-(1-pyridin-1-iumyl)octadecan-2-yl ester
IUPAC Name:3-pyridin-1-ium-1-yloctadecan-2-yl 2-methylprop-2-enoate
Traditional Name:2-methylacrylic acid (1-methyl-2-pyridin-1-ium-1-yl-heptadecyl) ester
Formula: C27H46NO2+
MolecularWeight: 416.65964
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)OC(=O)C(=C)C)[N+]1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)OC(=O)C(=C)C)[N+]1=CC=CC=C1


InChI

InChI=1S/C27H46NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(28-22-19-17-20-23-28)25(4)30-27(29)24(2)3/h17,19-20,22-23,25-26H,2,5-16,18,21H2,1,3-4H3/q+1


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