2,2-dimethyl-3-oxidanidyl-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-ium 1-oxide

Systemtic Name: 2,2-dimethyl-3-oxidanidyl-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-ium 1-oxide Openeye Name: 5-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide CAS Name: 2,2-dimethyl-3-oxido-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]benzimidazol-1-ium 1-oxide IUPAC Name: 2,2-dimethyl-3-oxido-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-ium 1-oxide Traditional Name: 5-[[4-[(E)-cinnamyl]piperazino]methyl]-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=C([N+]1=O)C=CC(=C2)CN3CCN(CC3)CC=CC4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1(N(C2=C([N+]1=O)C=CC(=C2)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)[O-])C

InChI

InChI=1S/C23H28N4O2/c1-23(2)26(28)21-11-10-20(17-22(21)27(23)29)18-25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16,18H2,1-2H3/b9-6+