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

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (5-bromo-2-thienyl)methyl-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C11H11BrN3O2S+ MolecularWeight: 329.19294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C11H10BrN3O2S/c1-14(7-8-4-5-10(12)18-8)11-9(15(16)17)3-2-6-13-11/h2-6H,7H2,1H3/p+1