(4-iodophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-iodophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-iodophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-iodophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-iodophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-iodophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H16IN2O+ MolecularWeight: 331.17271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15IN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3/p+1