N-[(3,4-dichlorophenyl)methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: (3,4-dichlorobenzyl)-(5-nitropyridin-1-ium-2-yl)amine Formula: C12H10Cl2N3O2+ MolecularWeight: 299.1327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C12H9Cl2N3O2/c13-10-3-1-8(5-11(10)14)6-15-12-4-2-9(7-16-12)17(18)19/h1-5,7H,6H2,(H,15,16)/p+1