N,N-dimethyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N,N-dimethyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N,N-dimethyl-2-[2-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N,N-dimethyl-2-[[2-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N,N-dimethyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N,N-dimethyl-2-[[2-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-21(2)19(24)15-27-18-6-4-3-5-17(18)20(25)23-10-8-22(9-11-23)13-16-7-12-26-14-16/h3-7,12,14H,8-11,13,15H2,1-2H3/p+1