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

Systemtic Name: 3-[(4-iodophenyl)methyl]-1,6,6-trimethyl-1-octyl-piperazin-1-ium-2,5-dione Openeye Name: 3-[(4-iodophenyl)methyl]-1,6,6-trimethyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[(4-iodophenyl)methyl]-1,6,6-trimethyl-1-octylpiperazin-1-ium-2,5-dione IUPAC Name: 3-[(4-iodophenyl)methyl]-1,6,6-trimethyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-(4-iodobenzyl)-1,6,6-trimethyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C22H34IN2O2+ MolecularWeight: 485.42203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(=O)C(NC(=O)C1(C)C)CC2=CC=C(C=C2)I)C

Isomeric SMILES

CCCCCCCC[N+]1(C(=O)C(NC(=O)C1(C)C)CC2=CC=C(C=C2)I)C

InChI

InChI=1S/C22H33IN2O2/c1-5-6-7-8-9-10-15-25(4)20(26)19(24-21(27)22(25,2)3)16-17-11-13-18(23)14-12-17/h11-14,19H,5-10,15-16H2,1-4H3/p+1