N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C35H49IN2O2 MolecularWeight: 656.68023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)C.[I-]

InChI

InChI=1S/C35H49N2O2.HI/c1-4-6-7-8-9-10-11-12-13-17-26-39-34-23-22-31(30(3)27-34)29-37(33-20-15-14-16-21-33)35(38)32-19-18-25-36(28-32)24-5-2;/h14-16,18-23,25,27-28H,4-13,17,24,26,29H2,1-3H3;1H/q+1;/p-1