methyl (E)-3-(3-dodecoxy-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(3-dodecoxy-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)prop-2-enoate Openeye Name: methyl (E)-3-(3-dodecoxy-6-methyl-1-oxido-pyridin-1-ium-2-yl)prop-2-enoate CAS Name: (E)-3-(3-dodecoxy-6-methyl-1-oxido-2-pyridin-1-iumyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(3-dodecoxy-6-methyl-1-oxidopyridin-1-ium-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-lauryloxy-6-methyl-1-oxido-pyridin-1-ium-2-yl)acrylic acid methyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C([N+](=C(C=C1)C)[O-])C=CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C([N+](=C(C=C1)C)[O-])/C=C/C(=O)OC

InChI

InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18-27-21-16-14-19(2)23(25)20(21)15-17-22(24)26-3/h14-17H,4-13,18H2,1-3H3/b17-15+