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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-iodanyl-6-methoxy-phenol Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxy-phenol CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-iodo-6-methoxyphenol IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxyphenol Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-iodo-6-methoxy-phenol Formula: C20H26IN2O2+ MolecularWeight: 453.33711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)I)O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)I)O)OC)C

InChI

InChI=1S/C20H25IN2O2/c1-14-5-4-6-18(15(14)2)23-9-7-22(8-10-23)13-16-11-17(21)20(24)19(12-16)25-3/h4-6,11-12,24H,7-10,13H2,1-3H3/p+1