N-cyclopropyl-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H23N3O3S/c21-14(15-2-1-11-24-15)5-6-17(23)20-9-7-19(8-10-20)12-16(22)18-13-3-4-13/h1-2,11,13H,3-10,12H2,(H,18,22)/p+1