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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-yl-butane-1,4-dione Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-yl-butane-1,4-dione CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-(1-pyrrolidinyl)butane-1,4-dione IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-ylbutane-1,4-dione Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-4-pyrrolidino-butane-1,4-dione Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCN(C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H24N4O2/c22-16(20-9-3-4-10-20)6-7-17(23)21-13-11-19(12-14-21)15-5-1-2-8-18-15/h1-2,5,8H,3-4,6-7,9-14H2/p+1