3-(3-pyridin-1-ium-1-ylpropyl)undecan-2-yl 2-methylprop-2-enoate

Systemtic Name: 3-(3-pyridin-1-ium-1-ylpropyl)undecan-2-yl 2-methylprop-2-enoate Openeye Name: [1-methyl-2-(3-pyridin-1-ium-1-ylpropyl)decyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 3-[3-(1-pyridin-1-iumyl)propyl]undecan-2-yl ester IUPAC Name: 3-(3-pyridin-1-ium-1-ylpropyl)undecan-2-yl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [1-methyl-2-(3-pyridin-1-ium-1-ylpropyl)decyl] ester Formula: C23H38NO2+ MolecularWeight: 360.55332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38NO2/c1-5-6-7-8-9-11-15-22(21(4)26-23(25)20(2)3)16-14-19-24-17-12-10-13-18-24/h10,12-13,17-18,21-22H,2,5-9,11,14-16,19H2,1,3-4H3/q+1