4-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]butylazanium

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]butylazanium Openeye Name: 4-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]butylammonium CAS Name: 4-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]butylazanium Traditional Name: 4-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]butylammonium Formula: C13H23N5O2+2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC[NH3+])C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC[NH3+])C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O2/c14-5-1-2-6-16-7-9-17(10-8-16)12-3-4-13(15-11-12)18(19)20/h3-4,11H,1-2,5-10,14H2/p+2