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

Systemtic Name: 4-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenol Openeye Name: 4-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenol CAS Name: 4-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]phenol IUPAC Name: 4-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenol Traditional Name: 4-[4-(5-nitropyridin-1-ium-2-yl)piperazino]phenol Formula: C15H17N4O3+ MolecularWeight: 301.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3/c20-14-4-1-12(2-5-14)17-7-9-18(10-8-17)15-6-3-13(11-16-15)19(21)22/h1-6,11,20H,7-10H2/p+1