2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H22N5O3+ MolecularWeight: 320.36688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3/c21-15(19-5-1-2-6-19)12-17-7-9-18(10-8-17)14-4-3-13(11-16-14)20(22)23/h3-4,11H,1-2,5-10,12H2/p+1