1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenylthiazol-4-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-phenyl-4-thiazolyl)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenylthiazol-4-yl)ethanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-21(15-20-17-27-22(23-20)19-9-5-2-6-10-19)25-13-11-24(12-14-25)16-18-7-3-1-4-8-18/h1-10,17H,11-16H2/p+1