2-[4-butyl-1-[(4-iodophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-[4-butyl-1-[(4-iodophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]ethanamide Openeye Name: 2-[4-butyl-1-[(4-iodophenyl)methyl]-3-methyl-2,6-dioxo-piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide CAS Name: 2-[4-butyl-1-[(4-iodophenyl)methyl]-3-methyl-2,6-dioxo-1-piperazin-1-iumyl]-N-[2-(4-chlorophenyl)ethyl]acetamide IUPAC Name: 2-[4-butyl-1-[(4-iodophenyl)methyl]-3-methyl-2,6-dioxopiperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide Traditional Name: 2-[4-butyl-1-(4-iodobenzyl)-2,6-diketo-3-methyl-piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide Formula: C26H32ClIN3O3+ MolecularWeight: 596.90805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=O)[N+](C(=O)C1C)(CC2=CC=C(C=C2)I)CC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CC(=O)[N+](C(=O)C1C)(CC2=CC=C(C=C2)I)CC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H31ClIN3O3/c1-3-4-15-30-16-25(33)31(26(34)19(30)2,17-21-7-11-23(28)12-8-21)18-24(32)29-14-13-20-5-9-22(27)10-6-20/h5-12,19H,3-4,13-18H2,1-2H3/p+1