1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone iodide

Systemtic Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone iodide Openeye Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone iodide CAS Name: 1-[4-[4-(1-methyl-2-pyridin-1-iumyl)-1-piperazinyl]phenyl]ethanone iodide IUPAC Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone iodide Traditional Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazino]phenyl]ethanone iodide Formula: C18H22IN3O MolecularWeight: 423.29125

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C18H22N3O.HI/c1-15(22)16-6-8-17(9-7-16)20-11-13-21(14-12-20)18-5-3-4-10-19(18)2;/h3-10H,11-14H2,1-2H3;1H/q+1;/p-1