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

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C22H22ClN2O2+ MolecularWeight: 381.87528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN2O2/c23-19-8-9-20-18(15-19)16-21(27-20)22(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2/p+1/b7-4+