1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C19H23N3O4+2 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

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