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

Systemtic Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]pyridin-1-ium-2-carboxamide iodide CAS Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]pyridin-1-ium-2-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-ethyl-pyridin-1-ium-2-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36-30-23-22-29(28(3)26-30)27-33-32(35)31-21-18-19-24-34(31)5-2;/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3;1H