N-[1-(3-chloranyl-4-dodecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[1-(3-chloranyl-4-dodecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(3-chloro-4-dodecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(3-chloro-4-dodecoxyphenyl)propyl]-1-ethyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-chloro-4-dodecoxyphenyl)propyl]-1-ethylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(3-chloro-4-lauryloxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)CC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-4-7-8-9-10-11-12-13-14-15-22-34-28-17-16-25(23-26(28)30)27(5-2)31-29(33)24-18-20-32(6-3)21-19-24;/h16-21,23,27H,4-15,22H2,1-3H3;1H