3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate

Systemtic Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate Openeye Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)acetic acid 3-phenylpropyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCC1)CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C16H24NO2/c1-17(11-5-6-12-17)14-16(18)19-13-7-10-15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-14H2,1H3/q+1