N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-methyl-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C36H50ClIN2O2 MolecularWeight: 705.15187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)Cl.[I-]

InChI

InChI=1S/C36H50ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-41-35-23-22-31(29-34(35)37)30-39(33-20-17-16-18-21-33)36(40)32-24-26-38(2)27-25-32;/h16-18,20-27,29H,3-15,19,28,30H2,1-2H3;1H/q+1;/p-1