1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dinitrophenyl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dinitrophenyl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dinitrophenyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dinitrophenyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dinitrophenyl)piperazin-1-ium Traditional Name: 1-(2,4-dinitrophenyl)-4-piperonyl-piperazin-4-ium Formula: C18H19N4O6+ MolecularWeight: 387.36666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c23-21(24)14-2-3-15(16(10-14)22(25)26)20-7-5-19(6-8-20)11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10H,5-8,11-12H2/p+1