5-bromanyl-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3-nitro-thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3-nitro-thiophene-2-carboxamide Openeye Name: 5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3-nitro-thiophene-2-carboxamide CAS Name: 5-bromo-N-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-3-nitro-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3-nitrothiophene-2-carboxamide Traditional Name: 5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3-nitro-thiophene-2-carboxamide Formula: C18H21BrN3O5S+ MolecularWeight: 471.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(S2)Br)[N+](=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(S2)Br)[N+](=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C18H20BrN3O5S/c1-26-15-10-12(4-5-14(15)27-9-8-21-6-2-3-7-21)20-18(23)17-13(22(24)25)11-16(19)28-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,23)/p+1