N-[2-[4-(3-iodanylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-methylphenyl)ethanediamide

Systemtic Name: N-[2-[4-(3-iodanylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-methylphenyl)ethanediamide Openeye Name: N-[2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[2-[4-[(3-iodophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C22H26IN4O3+ MolecularWeight: 521.37131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C22H25IN4O3/c1-16-5-7-19(8-6-16)25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)22(30)17-3-2-4-18(23)15-17/h2-8,15H,9-14H2,1H3,(H,24,28)(H,25,29)/p+1