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

Systemtic Name: N-[1-(4-dodecoxy-2-methyl-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(4-dodecoxy-2-methyl-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(4-dodecoxy-2-methylphenyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-dodecoxy-2-methylphenyl)propyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(4-lauryloxy-2-methyl-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-22-33-26-16-17-27(24(3)23-26)28(6-2)30-29(32)25-18-20-31(4)21-19-25;/h16-21,23,28H,5-15,22H2,1-4H3;1H