3-phenylpropyl 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: 3-phenylpropyl 2-piperidin-1-ium-1-ylethanoate Openeye Name: 3-phenylpropyl 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid 3-phenylpropyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c18-16(14-17-11-5-2-6-12-17)19-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2/p+1