N-(2-methoxy-5-nitro-phenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C23H30N4O4+2 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-31-22-10-9-20(27(29)30)18-21(22)24-23(28)11-13-26-16-14-25(15-17-26)12-5-8-19-6-3-2-4-7-19/h2-10,18H,11-17H2,1H3,(H,24,28)/p+2/b8-5+