1-[4-[4-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-hydroxy-3-iodo-5-methoxy-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H24IN2O3+ MolecularWeight: 467.32063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)I)O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)I)O)OC

InChI

InChI=1S/C20H23IN2O3/c1-14(24)16-3-5-17(6-4-16)23-9-7-22(8-10-23)13-15-11-18(21)20(25)19(12-15)26-2/h3-6,11-12,25H,7-10,13H2,1-2H3/p+1