N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-ethyl-pyridin-1-ium-2-carboxamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-36-30-22-21-27(25-28(30)32)26-33-31(35)29-20-17-18-23-34(29)4-2;/h17-18,20-23,25H,3-16,19,24,26H2,1-2H3;1H