2-(4-dodecoxy-3-methoxy-phenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-acetyl-2-(4-dodecoxy-3-methoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-acetyl-2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-acetyl-2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-acetyl-2-(4-lauryloxy-3-methoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Formula: C30H45N2O5+ MolecularWeight: 513.6887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)OC

InChI

InChI=1S/C30H45N2O5/c1-5-6-7-8-9-10-11-12-13-16-21-36-28-19-18-27(22-29(28)35-4)37-24-30(34)32(25(2)33)23-26-17-14-15-20-31(26)3/h14-15,17-20,22H,5-13,16,21,23-24H2,1-4H3/q+1