N-(4-methoxy-2-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C22H28N4O4+2 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-30-19-9-10-20(21(16-19)26(28)29)23-22(27)17-25-14-12-24(13-15-25)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15,17H2,1H3,(H,23,27)/p+2/b8-5+