1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-1-ium Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CC[NH+](CC2)CC=CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O2/c1-16-19(24(25)26)17(2)23(20-16)15-22-13-11-21(12-14-22)10-6-9-18-7-4-3-5-8-18/h3-9H,10-15H2,1-2H3/p+1/b9-6+