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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-piperonyl-piperazin-4-ium Formula: C17H20N4O4+2 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c22-21(23)14-2-1-5-18-17(14)20-8-6-19(7-9-20)11-13-3-4-15-16(10-13)25-12-24-15/h1-5,10H,6-9,11-12H2/p+2