4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

Systemtic Name: 4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole Openeye Name: 4-(4-bromophenyl)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]thiazole CAS Name: 4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]thiazole IUPAC Name: 4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole Traditional Name: 4-(4-bromophenyl)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]thiazole Formula: C22H23BrN3S+ MolecularWeight: 441.40712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3S/c23-20-10-8-19(9-11-20)21-17-27-22(24-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2/p+1/b7-4+