(1-oxidanidyl-2-propoxy-pyrrolidin-1-ium-1-yl)-phenyl-methanone

Systemtic Name: (1-oxidanidyl-2-propoxy-pyrrolidin-1-ium-1-yl)-phenyl-methanone Openeye Name: (1-oxido-2-propoxy-pyrrolidin-1-ium-1-yl)-phenyl-methanone CAS Name: (1-oxido-2-propoxy-1-pyrrolidin-1-iumyl)-phenylmethanone IUPAC Name: (1-oxido-2-propoxypyrrolidin-1-ium-1-yl)-phenylmethanone Traditional Name: (1-oxido-2-propoxy-pyrrolidin-1-ium-1-yl)-phenyl-methanone Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H19NO3/c1-2-11-18-13-9-6-10-15(13,17)14(16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3