2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C35H57IN2O2 MolecularWeight: 664.74375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C35H56N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-26-39-33-20-19-31(27-32(33)35(3,4)5)28-34(38)36-29-30-21-24-37(23-7-2)25-22-30;/h19-22,24-25,27H,6-18,23,26,28-29H2,1-5H3;1H