2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4O

InChI

InChI=1S/C19H21N3O5/c23-18-4-2-1-3-17(18)21-7-5-20(6-8-21)11-14-9-16(22(24)25)10-15-12-26-13-27-19(14)15/h1-4,9-10,23H,5-8,11-13H2/p+1