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

Systemtic Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazine-1,4-diium CAS Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazine-1,4-diium Formula: C20H25N3O2+2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c24-23(25)20-11-5-4-9-19(20)10-6-12-21-13-15-22(16-14-21)17-18-7-2-1-3-8-18/h1-11H,12-17H2/p+2/b10-6+