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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-methylpyridin-1-ium-4-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)CN(CC2=CC=[N+](C=C2)C)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C)Cl.[I-]

InChI

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