2-[4-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O2S/c31-23(28-12-6-7-13-28)18-27-14-16-29(17-15-27)24(32)19-33-25-26-21-10-4-5-11-22(21)30(25)20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2/p+1