N-[(3-methoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3-methoxyphenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: m-anisyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H14N3O3+ MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3/c1-19-11-5-2-4-10(8-11)9-15-13-12(16(17)18)6-3-7-14-13/h2-8H,9H2,1H3,(H,14,15)/p+1