1-[(4-iodophenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(4-iodophenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(4-iodophenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(4-iodophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(4-iodophenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(4-iodobenzyl)-4-methyl-piperazine-1,4-diium Formula: C12H19IN2+2 MolecularWeight: 318.19713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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