1-(5-chloranylthiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butane-1,4-dione Formula: C21H24ClN2O2S+ MolecularWeight: 403.94546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c22-20-10-9-19(27-20)18(25)8-11-21(26)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-7,9-10H,8,11-16H2/p+1/b7-4+