2-(2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(2-nitrophenoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c23-19(14-26-18-6-2-1-5-17(18)22(24)25)20-16-9-7-15(8-10-16)13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2,(H,20,23)/p+1