2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-bromanyl-phenol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-bromanyl-phenol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-bromo-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-4-bromophenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-bromophenol Traditional Name: 4-bromo-2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21BrN2O3/c20-16-2-3-17(23)15(10-16)12-22-7-5-21(6-8-22)11-14-1-4-18-19(9-14)25-13-24-18/h1-4,9-10,23H,5-8,11-13H2/p+1