[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[(2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[(2R)-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O4S/c26-21(17-3-1-7-25(17)22(27)20-4-2-12-30-20)24-10-8-23(9-11-24)14-16-5-6-18-19(13-16)29-15-28-18/h2,4-6,12-13,17H,1,3,7-11,14-15H2/p+1/t17-/m1/s1