2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-acetyl-2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Formula: C36H57N2O4+ MolecularWeight: 581.84878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C

InChI

InChI=1S/C36H57N2O4/c1-7-9-10-11-12-13-14-15-16-17-18-21-26-41-34-24-23-32(27-33(34)36(4,5)6)42-29-35(40)38(30(3)39)28-31-22-19-20-25-37(31)8-2/h19-20,22-25,27H,7-18,21,26,28-29H2,1-6H3/q+1