2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H27N5O2S/c29-20(17-13-19(24-14-17)23(30)28-7-3-4-8-28)15-26-9-11-27(12-10-26)16-22-25-18-5-1-2-6-21(18)31-22/h1-2,5-6,13-14,24H,3-4,7-12,15-16H2/p+1