[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: (5-nitro-2-furyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H18N3O6+ MolecularWeight: 360.34132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c21-17(14-3-4-16(26-14)20(22)23)19-7-5-18(6-8-19)10-12-1-2-13-15(9-12)25-11-24-13/h1-4,9H,5-8,10-11H2/p+1