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

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)ethanamide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)acetamide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide Traditional Name: N-acetyl-2-(4-cetyloxy-3-methoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Formula: C35H55N2O5+ MolecularWeight: 583.8216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OC

InChI

InChI=1S/C35H55N2O5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-41-33-24-23-32(27-34(33)40-4)42-29-35(39)37(30(3)38)28-31-22-19-20-25-36(31)6-2/h19-20,22-25,27H,5-18,21,26,28-29H2,1-4H3/q+1