1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-nitrobenzyl)-4-piperonyl-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=CC3=C(C=C2)OCO3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

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