N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C16H20N3O2S2+ MolecularWeight: 350.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O2S2/c20-15(10-17-16(21)14-2-1-8-23-14)19-6-4-18(5-7-19)11-13-3-9-22-12-13/h1-3,8-9,12H,4-7,10-11H2,(H,17,21)/p+1