N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C18H21N5O5+2 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c24-18(20-13-1-3-15-16(9-13)28-12-27-15)11-21-5-7-22(8-6-21)17-4-2-14(10-19-17)23(25)26/h1-4,9-10H,5-8,11-12H2,(H,20,24)/p+2