4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-iodanyl-6-methoxy-phenol

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-iodanyl-6-methoxy-phenol Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxy-phenol CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-iodo-6-methoxyphenol IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxyphenol Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxy-phenol Formula: C18H21ClIN2O2+ MolecularWeight: 459.72901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)I)O

InChI

InChI=1S/C18H20ClIN2O2/c1-24-17-10-13(9-16(20)18(17)23)12-21-5-7-22(8-6-21)15-4-2-3-14(19)11-15/h2-4,9-11,23H,5-8,12H2,1H3/p+1