2-methoxy-4-nitro-6-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenolate Openeye Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenolate Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H25N3O4/c1-28-20-15-19(24(26)27)14-18(21(20)25)16-23-12-10-22(11-13-23)9-5-8-17-6-3-2-4-7-17/h2-8,14-15,25H,9-13,16H2,1H3/p+1/b8-5+