N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-nitrobenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-nitro-benzamide Formula: C17H20N3O4+ MolecularWeight: 330.3584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H19N3O4/c21-17(13-5-7-14(8-6-13)20(22)23)18-12-15(16-4-3-11-24-16)19-9-1-2-10-19/h3-8,11,15H,1-2,9-10,12H2,(H,18,21)/p+1/t15-/m0/s1