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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-acetyl-2-(4-dodecoxy-3-methoxy-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-acetyl-2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-acetyl-2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-acetyl-2-(4-lauryloxy-3-methoxy-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide Formula: C32H49N2O5+ MolecularWeight: 541.74186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49N2O5/c1-5-7-8-9-10-11-12-13-14-17-23-38-30-20-19-29(24-31(30)37-4)39-26-32(36)34(27(3)35)25-28-18-15-16-22-33(28)21-6-2/h15-16,18-20,22,24H,5-14,17,21,23,25-26H2,1-4H3/q+1