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

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O4/c22-21(23)16-11-18-17(24-13-25-18)10-14(16)12-19-6-8-20(9-7-19)15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-13H2/p+1