2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C17H27ClN4O2S+2 MolecularWeight: 386.93988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C17H25ClN4O2S/c1-20(10-14-4-5-15(18)25-14)17(24)12-22-8-6-21(7-9-22)11-16(23)19-13-2-3-13/h4-5,13H,2-3,6-12H2,1H3,(H,19,23)/p+2