2-pyrrolidin-1-ium-1-ylethyl 1-phenylcyclopentane-1-carboxylate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 1-phenylcyclopentane-1-carboxylate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC[NH+]3CCCC3

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC[NH+]3CCCC3

InChI

InChI=1S/C18H25NO2/c20-17(21-15-14-19-12-6-7-13-19)18(10-4-5-11-18)16-8-2-1-3-9-16/h1-3,8-9H,4-7,10-15H2/p+1