N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C14H20ClN4O3+ MolecularWeight: 327.7866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O3/c15-12-9-11(19(21)22)3-4-13(12)16-5-6-17-14(20)10-18-7-1-2-8-18/h3-4,9,16H,1-2,5-8,10H2,(H,17,20)/p+1