2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-oxo-1-(3-phenylpropyl)-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-keto-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetic acid Formula: C15H20NO3+ MolecularWeight: 262.3242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1CC(=O)[N+](C1)(CCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C15H19NO3/c17-14-9-5-11-16(14,12-15(18)19)10-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2/p+1