2-(3-chloranyl-4-dodecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-acetyl-2-(3-chloro-4-dodecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-acetyl-2-(3-chloro-4-dodecoxyphenoxy)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-acetyl-2-(3-chloro-4-dodecoxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-acetyl-2-(3-chloro-4-lauryloxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Formula: C30H44ClN2O4+ MolecularWeight: 532.13436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl

InChI

InChI=1S/C30H44ClN2O4/c1-4-6-7-8-9-10-11-12-13-16-21-36-29-19-18-27(22-28(29)31)37-24-30(35)33(25(3)34)23-26-17-14-15-20-32(26)5-2/h14-15,17-20,22H,4-13,16,21,23-24H2,1-3H3/q+1