N-[(3-methoxyphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3-methoxyphenyl)methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: m-anisyl-(5-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=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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