3-[3-oxidanylidene-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[3-oxidanylidene-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-oxo-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-oxo-3-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-oxo-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-keto-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)CCN2C(=O)OC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)CCN2C(=O)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S/c1-12(2)18-14-7-3-4-9-20(14)15(22)8-10-21-17(23)24-16(19-21)13-6-5-11-25-13/h3-7,9,11-12H,8,10H2,1-2H3/p+1