[1-(5-nitropyridin-2-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(5-nitropyridin-2-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(5-nitro-2-pyridyl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(5-nitro-2-pyridinyl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(5-nitropyridin-2-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(5-nitro-2-pyridyl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H25N6O3+ MolecularWeight: 397.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c27-20(25-13-11-24(12-14-25)18-3-1-2-8-21-18)16-6-9-23(10-7-16)19-5-4-17(15-22-19)26(28)29/h1-5,8,15-16H,6-7,9-14H2/p+1