1-[(3-iodanylphenyl)methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(3-iodanylphenyl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3-iodophenyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3-iodophenyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3-iodophenyl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-(3-iodobenzyl)-4-methyl-piperazin-4-ium Formula: C12H18IN2+ MolecularWeight: 317.18919

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)I

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)I

InChI

InChI=1S/C12H17IN2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(13)9-11/h2-4,9H,5-8,10H2,1H3/p+1