2-methoxy-4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]phenol

Systemtic Name: 2-methoxy-4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]phenol Openeye Name: 2-methoxy-4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]phenol CAS Name: 2-methoxy-4-[[(3-nitro-4-pyridin-1-iumyl)amino]methyl]phenol IUPAC Name: 2-methoxy-4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]phenol Traditional Name: 2-methoxy-4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]phenol Formula: C13H14N3O4+ MolecularWeight: 276.26796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O4/c1-20-13-6-9(2-3-12(13)17)7-15-10-4-5-14-8-11(10)16(18)19/h2-6,8,17H,7H2,1H3,(H,14,15)/p+1