N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28FN4O4+ MolecularWeight: 443.491223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)F)[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)F)[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27FN4O4/c24-19-6-3-17(4-7-19)22(27-11-13-32-14-12-27)16-25-23(29)18-5-8-20(21(15-18)28(30)31)26-9-1-2-10-26/h3-8,15,22H,1-2,9-14,16H2,(H,25,29)/p+1/t22-/m0/s1