[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-(2-thienylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-(2-thenyl)piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C19H26N3O3S3+ MolecularWeight: 440.62304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C19H25N3O3S3/c23-19(21-10-8-20(9-11-21)15-17-5-2-12-26-17)16-4-1-7-22(14-16)28(24,25)18-6-3-13-27-18/h2-3,5-6,12-13,16H,1,4,7-11,14-15H2/p+1/t16-/m0/s1