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

Systemtic Name: N-[1-(2-methyl-4-tetradecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(2-methyl-4-tetradecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(2-methyl-4-tetradecoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(2-methyl-4-tetradecoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(2-methyl-4-myristyloxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2.HI/c1-5-8-9-10-11-12-13-14-15-16-17-18-26-37-30-19-20-31(28(4)27-30)32(7-3)34-33(36)29-21-24-35(23-6-2)25-22-29;/h19-22,24-25,27,32H,5-18,23,26H2,1-4H3;1H