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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-18-17-21(19(2)28-18)22(26)10-11-23(27)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-9,17H,10-16H2,1-2H3/p+1/b9-6+