3-[(4-iodophenyl)methyl]-4,5,6-trimethyl-1-oxidanylidene-piperazin-1-ium-2-one

Systemtic Name: 3-[(4-iodophenyl)methyl]-4,5,6-trimethyl-1-oxidanylidene-piperazin-1-ium-2-one Openeye Name: 3-[(4-iodophenyl)methyl]-4,5,6-trimethyl-1-oxo-piperazin-1-ium-2-one CAS Name: 3-[(4-iodophenyl)methyl]-4,5,6-trimethyl-1-oxo-2-piperazin-1-iumone IUPAC Name: 3-[(4-iodophenyl)methyl]-4,5,6-trimethyl-1-oxopiperazin-1-ium-2-one Traditional Name: 3-(4-iodobenzyl)-1-keto-4,5,6-trimethyl-piperazin-1-ium-2-one Formula: C14H18IN2O2+ MolecularWeight: 373.20939

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](=O)C(=O)C(N1C)CC2=CC=C(C=C2)I)C

Isomeric SMILES

CC1C([N+](=O)C(=O)C(N1C)CC2=CC=C(C=C2)I)C

InChI

InChI=1S/C14H18IN2O2/c1-9-10(2)17(19)14(18)13(16(9)3)8-11-4-6-12(15)7-5-11/h4-7,9-10,13H,8H2,1-3H3/q+1