2-(2-chloranyl-4-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O4/c20-17-11-16(23(25)26)7-8-18(17)27-13-19(24)21-15-5-3-14(4-6-15)12-22-9-1-2-10-22/h3-8,11H,1-2,9-10,12-13H2,(H,21,24)/p+1