N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-18-15-21(22(27(29)30)16-19(18)2)24-23(28)17-26-13-11-25(12-14-26)10-6-9-20-7-4-3-5-8-20/h3-9,15-16H,10-14,17H2,1-2H3,(H,24,28)/p+1/b9-6+