2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C25H25N4OS+ MolecularWeight: 429.5572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4OS/c30-24(28-17-15-27(16-18-28)20-9-3-1-4-10-20)19-31-25-26-22-13-7-8-14-23(22)29(25)21-11-5-2-6-12-21/h1-14H,15-19H2/p+1