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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c23-22(24)18-10-15(19-16(11-18)13-25-14-26-19)12-20-6-8-21(9-7-20)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-14H2/p+1