1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitro-penta-2,4-dienyl]-1-oxidanidyl-piperidin-1-ium

Systemtic Name: 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitro-penta-2,4-dienyl]-1-oxidanidyl-piperidin-1-ium Openeye Name: 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitro-penta-2,4-dienyl]-1-oxido-piperidin-1-ium CAS Name: 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitropenta-2,4-dienyl]-1-oxidopiperidin-1-ium IUPAC Name: 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitropenta-2,4-dienyl]-1-oxidopiperidin-1-ium Traditional Name: 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-nitro-penta-2,4-dienyl]-1-oxido-piperidin-1-ium Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C(C=CC=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[N+](CC1)(C(/C=C/C=C/C2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H20N2O5/c20-18(21)17(19(22)10-4-1-5-11-19)7-3-2-6-14-8-9-15-16(12-14)24-13-23-15/h2-3,6-9,12,17H,1,4-5,10-11,13H2/b6-2+,7-3+