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

Systemtic Name: 2,4-bis(bromanyl)-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,4-dibromo-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,4-dibromo-6-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,4-dibromo-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,4-dibromo-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H23Br2N2O+ MolecularWeight: 455.20672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Br2N2O/c1-13-4-3-5-18(14(13)2)23-8-6-22(7-9-23)12-15-10-16(20)11-17(21)19(15)24/h3-5,10-11,24H,6-9,12H2,1-2H3/p+1