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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(4-pyridin-1-ium-2-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=CC=[NH+]2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)C3=CC=CS3

InChI

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