1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)allyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-3-(2-nitrophenyl)allyl]-4-piperonyl-piperazine-1,4-diium Formula: C21H25N3O4+2 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c25-24(26)19-6-2-1-4-18(19)5-3-9-22-10-12-23(13-11-22)15-17-7-8-20-21(14-17)28-16-27-20/h1-8,14H,9-13,15-16H2/p+2/b5-3+