1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(4-pyridin-1-ium-4-ylpiperazino)-4-(2-thienyl)butane-1,4-dione Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H19N3O2S/c21-15(16-2-1-13-23-16)3-4-17(22)20-11-9-19(10-12-20)14-5-7-18-8-6-14/h1-2,5-8,13H,3-4,9-12H2/p+1