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

Systemtic Name: N-[1-(4-dodecoxy-2-methyl-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(4-dodecoxy-2-methyl-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(4-dodecoxy-2-methylphenyl)propyl]-1-ethyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-dodecoxy-2-methylphenyl)propyl]-1-ethylpyridin-1-ium-4-carboxamide iodide Traditional Name: 1-ethyl-N-[1-(4-lauryloxy-2-methyl-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O2.HI/c1-5-8-9-10-11-12-13-14-15-16-23-34-27-17-18-28(25(4)24-27)29(6-2)31-30(33)26-19-21-32(7-3)22-20-26;/h17-22,24,29H,5-16,23H2,1-4H3;1H