1-pyrrolidin-1-yl-2-[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[2-[oxo(thiophen-2-yl)methyl]phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[2-(2-thenoyl)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c26-20(24-9-3-4-10-24)16-23-11-13-25(14-12-23)22(28)18-7-2-1-6-17(18)21(27)19-8-5-15-29-19/h1-2,5-8,15H,3-4,9-14,16H2/p+1