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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[2-(4-thiazolyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

InChI

InChI=1S/C23H23N5OS/c29-22(27-12-10-26(11-13-27)14-18-6-2-1-3-7-18)15-28-21-9-5-4-8-19(21)25-23(28)20-16-30-17-24-20/h1-9,16-17H,10-15H2/p+1