N-[[2-[2-(1-heptylpyridin-1-ium-4-yl)ethyl]phenyl]amino]methanamide iodide

Systemtic Name: N-[[2-[2-(1-heptylpyridin-1-ium-4-yl)ethyl]phenyl]amino]methanamide iodide Openeye Name: N-[2-[2-(1-heptylpyridin-1-ium-4-yl)ethyl]anilino]formamide iodide CAS Name: N-[2-[2-(1-heptyl-4-pyridin-1-iumyl)ethyl]anilino]formamide iodide IUPAC Name: N-[2-[2-(1-heptylpyridin-1-ium-4-yl)ethyl]anilino]formamide iodide Traditional Name: N-[2-[2-(1-heptylpyridin-1-ium-4-yl)ethyl]anilino]formamide iodide Formula: C21H30IN3O MolecularWeight: 467.38687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)CCC2=CC=CC=C2NNC=O.[I-]

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)CCC2=CC=CC=C2NNC=O.[I-]

InChI

InChI=1S/C21H29N3O.HI/c1-2-3-4-5-8-15-24-16-13-19(14-17-24)11-12-20-9-6-7-10-21(20)23-22-18-25;/h6-7,9-10,13-14,16-18,23H,2-5,8,11-12,15H2,1H3;1H