2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]ethanamide

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]ethanamide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethyl-3-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide Formula: C33H52ClN2O3+ MolecularWeight: 560.23058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)Cl

InChI

InChI=1S/C33H51ClN2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-38-32-21-20-30(26-31(32)34)39-28-33(37)35-23-22-29-19-18-24-36(4-2)27-29/h18-21,24,26-27H,3-17,22-23,25,28H2,1-2H3/p+1