2-bromanyl-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-bromanyl-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-bromo-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O2/c1-14-4-5-15(2)18(10-14)23-8-6-22(7-9-23)13-16-11-17(21)20(24)19(12-16)25-3/h4-5,10-12,24H,6-9,13H2,1-3H3/p+1