[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C19H25ClN3O3S3+ MolecularWeight: 475.0681

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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=C(S4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H24ClN3O3S3/c20-17-6-5-16(28-17)14-21-8-10-22(11-9-21)19(24)15-3-1-7-23(13-15)29(25,26)18-4-2-12-27-18/h2,4-6,12,15H,1,3,7-11,13-14H2/p+1/t15-/m0/s1