N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-nitrophenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3/c16-12(9-14-6-1-2-7-14)13-10-4-3-5-11(8-10)15(17)18/h3-5,8H,1-2,6-7,9H2,(H,13,16)/p+1