N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-nitrobenzamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H19N3O4S/c21-17(13-3-5-14(6-4-13)20(22)23)18-12-15(16-2-1-11-25-16)19-7-9-24-10-8-19/h1-6,11,15H,7-10,12H2,(H,18,21)/p+1/t15-/m0/s1