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

Systemtic Name: 2-(2-phenylazanyl-1,3-thiazol-4-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-anilinothiazol-4-yl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(2-anilino-4-thiazolyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-anilino-1,3-thiazol-4-yl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-anilinothiazol-4-yl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-21(15-20-17-28-22(24-20)23-19-9-5-2-6-10-19)26-13-11-25(12-14-26)16-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,23,24)/p+1