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

Systemtic Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-2-25-19-11-7-6-10-18(19)22-21(25)27-16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1