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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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