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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]-4-nitrobenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H19N3O5/c21-17(13-3-5-14(6-4-13)20(22)23)18-12-15(16-2-1-9-25-16)19-7-10-24-11-8-19/h1-6,9,15H,7-8,10-12H2,(H,18,21)/p+1/t15-/m0/s1