2-(2-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide CAS Name: 2-(2-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide Traditional Name: 2-(4-cetyloxy-2-chloro-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide Formula: C33H52ClN2O3+ MolecularWeight: 560.23058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl

InChI

InChI=1S/C33H51ClN2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-30-21-22-32(31(34)27-30)39-28-33(37)35-24-23-29-20-17-18-25-36(29)4-2/h17-18,20-22,25,27H,3-16,19,23-24,26,28H2,1-2H3/p+1