[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[(2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C22H25N4O2S2+ MolecularWeight: 441.5895

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N4O2S2/c27-21(17-6-3-9-26(17)22(28)19-8-4-14-29-19)25-12-10-24(11-13-25)15-20-23-16-5-1-2-7-18(16)30-20/h1-2,4-5,7-8,14,17H,3,6,9-13,15H2/p+1/t17-/m1/s1