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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]ethanamide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]acetamide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-methyl-4-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]acetamide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]acetamide Formula: C32H50ClN2O3+ MolecularWeight: 546.204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49ClN2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-37-31-18-17-29(26-30(31)33)38-27-32(36)34-22-19-28-20-23-35(2)24-21-28/h17-18,20-21,23-24,26H,3-16,19,22,25,27H2,1-2H3/p+1