N-[2-[(4-nitrophenyl)amino]ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-nitroanilino)ethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c23-18(13-21-11-1-3-16(21)17-4-2-12-26-17)20-10-9-19-14-5-7-15(8-6-14)22(24)25/h2,4-8,12,16,19H,1,3,9-11,13H2,(H,20,23)/p+1/t16-/m1/s1