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

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-19-14-18-16(22(23)24)17(19)21-12-10-20(11-13-21)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13H2,1H3/p+1/b8-5+