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

Systemtic Name: 4-bromanyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 4-bromo-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 4-bromo-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 4-bromo-2-[[4-(2,3-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=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC(=C3O)OC)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC(=C3O)OC)Br)C

InChI

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