[4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [(2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c25-20(18-8-4-10-24(18)21(26)19-9-5-15-27-19)23-13-11-22(12-14-23)16-17-6-2-1-3-7-17/h1-3,5-7,9,15,18H,4,8,10-14,16H2/p+1/t18-/m1/s1