1-(3-nitropyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C15H19N5O2+2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O2/c21-20(22)14-2-1-5-17-15(14)19-10-8-18(9-11-19)12-13-3-6-16-7-4-13/h1-7H,8-12H2/p+2