N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H21FN3O4S+ MolecularWeight: 430.472543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O4S/c22-16-3-1-14(2-4-16)18(24-7-9-29-10-8-24)13-23-21(26)20-12-15-11-17(25(27)28)5-6-19(15)30-20/h1-6,11-12,18H,7-10,13H2,(H,23,26)/p+1/t18-/m0/s1