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

Systemtic Name: 2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C16H24N5O3+ MolecularWeight: 334.39346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O3/c22-16(20-6-2-1-3-7-20)13-18-8-10-19(11-9-18)15-5-4-14(12-17-15)21(23)24/h4-5,12H,1-3,6-11,13H2/p+1