[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C21H28N6O2S+2 MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N6O2S/c1-2-9-25(15-19-23-24-21(29-19)17-6-5-14-30-17)16-20(28)27-12-10-26(11-13-27)18-7-3-4-8-22-18/h3-8,14H,2,9-13,15-16H2,1H3/p+2