3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H22N4O/c26-21(18-8-9-19-20(15-18)23-16-22-19)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2,(H,22,23)/p+1/b7-4+