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

Systemtic Name: 1-ethyl-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-ethyl-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: 1-ethyl-N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: 1-ethyl-N-(2-methyl-4-myristyloxy-benzyl)-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-27-40-35-25-24-32(31(3)28-35)30-38(34-22-17-16-18-23-34)36(39)33-21-20-26-37(5-2)29-33;/h16-18,20-26,28-29H,4-15,19,27,30H2,1-3H3;1H/q+1;/p-1