(4E)-4-(phenylmethylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-5-one

Systemtic Name: (4E)-4-(phenylmethylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-5-one Openeye Name: (4E)-4-benzylidene-2-(4-benzylpiperazin-4-ium-1-yl)thiazol-5-one CAS Name: (4E)-4-(phenylmethylene)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-thiazolone IUPAC Name: (4E)-4-benzylidene-2-(4-benzylpiperazin-4-ium-1-yl)-1,3-thiazol-5-one Traditional Name: (4E)-4-benzal-2-(4-benzylpiperazin-4-ium-1-yl)-2-thiazolin-5-one Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=CC4=CC=CC=C4)C(=O)S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=N/C(=C/C4=CC=CC=C4)/C(=O)S3

InChI

InChI=1S/C21H21N3OS/c25-20-19(15-17-7-3-1-4-8-17)22-21(26-20)24-13-11-23(12-14-24)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/p+1/b19-15+