2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C16H27ClN4O2S+2 MolecularWeight: 374.92918

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C16H25ClN4O2S/c1-2-5-18-15(22)10-19-16(23)12-21-8-6-20(7-9-21)11-13-3-4-14(17)24-13/h3-4H,2,5-12H2,1H3,(H,18,22)(H,19,23)/p+2