5-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-5-chloro-thiophene-2-carboxamide Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-12(23)21-7-9-22(10-8-21)16-13(3-2-6-19-16)11-20-17(24)14-4-5-15(18)25-14/h2-6H,7-11H2,1H3,(H,20,24)/p+1