1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H27N5O3S/c26-18(5-4-17-21-20(22-28-17)16-6-13-29-15-16)25-11-9-23(10-12-25)14-19(27)24-7-2-1-3-8-24/h6,13,15H,1-5,7-12,14H2/p+1