4-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H19BrN2O3/c19-16-10-18-17(23-12-24-18)9-13(16)11-20-5-7-21(8-6-20)14-1-3-15(22)4-2-14/h1-4,9-10,22H,5-8,11-12H2/p+1