N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-10-25-16)19-6-8-24-9-7-19/h1-5,10-11,15H,6-9,12H2,(H,18,21)/p+1/t15-/m1/s1