3-phenylpropyl 2-pyrrolidin-1-ium-1-ylethanoate

Systemtic Name: 3-phenylpropyl 2-pyrrolidin-1-ium-1-ylethanoate Openeye Name: 3-phenylpropyl 2-pyrrolidin-1-ium-1-ylacetate CAS Name: 2-(1-pyrrolidin-1-iumyl)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-pyrrolidin-1-ium-1-ylacetate Traditional Name: 2-pyrrolidin-1-ium-1-ylacetic acid 3-phenylpropyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](C1)CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c17-15(13-16-10-4-5-11-16)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2/p+1