(6-chloranyl-2H-chromen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C23H24ClN2O2+ MolecularWeight: 395.90186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C23H23ClN2O2/c24-21-8-9-22-19(16-21)15-20(17-28-22)23(27)26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-9,15-16H,10-14,17H2/p+1/b7-4+