1-(5-chloranyl-2-methyl-phenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide CAS Name: 1-(5-chloro-2-methylphenyl)-4-(1-methyl-2-pyridin-1-iumyl)piperazine iodide IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide Formula: C17H21ClIN3 MolecularWeight: 429.72621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C17H21ClN3.HI/c1-14-6-7-15(18)13-16(14)20-9-11-21(12-10-20)17-5-3-4-8-19(17)2;/h3-8,13H,9-12H2,1-2H3;1H/q+1;/p-1