1-methyl-N-phenyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 1-methyl-N-phenyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-methyl-N-phenyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide CAS Name: 1-methyl-N-phenyl-N-[(4-tetradecoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-phenyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Traditional Name: 1-methyl-N-(4-myristyloxybenzyl)-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C34H47IN2O2 MolecularWeight: 642.65365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C34H47N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-17-27-38-33-24-22-30(23-25-33)28-36(32-20-15-14-16-21-32)34(37)31-19-18-26-35(2)29-31;/h14-16,18-26,29H,3-13,17,27-28H2,1-2H3;1H/q+1;/p-1