N-[2-(2,4-dichlorophenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-(2,4-dichlorophenyl)ethyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H12Cl2N3O2+ MolecularWeight: 313.15928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11Cl2N3O2/c14-10-4-3-9(11(15)8-10)5-7-17-13-12(18(19)20)2-1-6-16-13/h1-4,6,8H,5,7H2,(H,16,17)/p+1