2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[1-(1-ethyl-4-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide Formula: C33H53N2O3+ MolecularWeight: 525.78552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC(C)C2=CC=[N+](C=C2)CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC(C)C2=CC=[N+](C=C2)CC)C(C)(C)C

InChI

InChI=1S/C33H52N2O3/c1-7-9-10-11-12-13-14-15-16-17-24-37-31-19-18-29(25-30(31)33(4,5)6)38-26-32(36)34-27(3)28-20-22-35(8-2)23-21-28/h18-23,25,27H,7-17,24,26H2,1-6H3/p+1