3-(2-hexadecylpyridin-1-ium-1-yl)propyl 4-(2-methylprop-2-enoyloxy)pentanoate

Systemtic Name: 3-(2-hexadecylpyridin-1-ium-1-yl)propyl 4-(2-methylprop-2-enoyloxy)pentanoate Openeye Name: 3-(2-hexadecylpyridin-1-ium-1-yl)propyl 4-(2-methylprop-2-enoyloxy)pentanoate CAS Name: 4-(2-methyl-1-oxoprop-2-enoxy)pentanoic acid 3-(2-hexadecyl-1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(2-hexadecylpyridin-1-ium-1-yl)propyl 4-(2-methylprop-2-enoyloxy)pentanoate Traditional Name: 4-methacryloyloxyvaleric acid 3-(2-cetylpyridin-1-ium-1-yl)propyl ester Formula: C33H56NO4+ MolecularWeight: 530.80204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=[N+]1CCCOC(=O)CCC(C)OC(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=[N+]1CCCOC(=O)CCC(C)OC(=O)C(=C)C

InChI

InChI=1S/C33H56NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-23-19-20-26-34(31)27-21-28-37-32(35)25-24-30(4)38-33(36)29(2)3/h19-20,23,26,30H,2,5-18,21-22,24-25,27-28H2,1,3-4H3/q+1