N-(4-chloranyl-2-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C16H17ClN3O3S+ MolecularWeight: 366.84248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H16ClN3O3S/c17-11-5-6-12(14(9-11)20(22)23)18-16(21)10-19-7-1-3-13(19)15-4-2-8-24-15/h2,4-6,8-9,13H,1,3,7,10H2,(H,18,21)/p+1/t13-/m1/s1