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

Systemtic Name: 1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Openeye Name: 1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone CAS Name: 1-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-2-[2-(4-thiazolyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Traditional Name: 1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

InChI

InChI=1S/C22H28N6OS/c29-21(27-13-11-26(12-14-27)10-9-25-7-3-4-8-25)15-28-20-6-2-1-5-18(20)24-22(28)19-16-30-17-23-19/h1-2,5-6,16-17H,3-4,7-15H2/p+1