3-pyrrolidin-1-ium-1-ylpropyl 1-phenylcyclopentane-1-carboxylate

Systemtic Name: 3-pyrrolidin-1-ium-1-ylpropyl 1-phenylcyclopentane-1-carboxylate Openeye Name: 3-pyrrolidin-1-ium-1-ylpropyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 3-(1-pyrrolidin-1-iumyl)propyl ester IUPAC Name: 3-pyrrolidin-1-ium-1-ylpropyl 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid 3-pyrrolidin-1-ium-1-ylpropyl ester Formula: C19H28NO2+ MolecularWeight: 302.43112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2/c21-18(22-16-8-15-20-13-6-7-14-20)19(11-4-5-12-19)17-9-2-1-3-10-17/h1-3,9-10H,4-8,11-16H2/p+1