N-(3-chloranyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: N-(3-chloranyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-(3-chloro-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-(3-chloro-4-hexadecoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-chloro-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C32H50ClIN2O2 MolecularWeight: 657.10907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C32H50ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-32-23-22-29(26-31(32)33)35(28(3)36)27-30-21-18-19-24-34(30)5-2;/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3;1H/q+1;/p-1