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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(2-thienylmethylene)thiazol-4-one CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(thiophen-2-ylmethylidene)-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(2-thenylidene)-2-thiazolin-4-one Formula: C19H20N3OS2+ MolecularWeight: 370.5116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CC=CS4)S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CC=CS4)S3

InChI

InChI=1S/C19H19N3OS2/c23-18-17(13-16-7-4-12-24-16)25-19(20-18)22-10-8-21(9-11-22)14-15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2/p+1