N-[2-(4-methoxyphenyl)ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-(4-methoxyphenyl)ethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C14H16N3O3+ MolecularWeight: 274.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-20-13-5-2-11(3-6-13)8-9-15-14-7-4-12(10-16-14)17(18)19/h2-7,10H,8-9H2,1H3,(H,15,16)/p+1