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

Systemtic Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)ethanoate Openeye Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)acetate CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)acetic acid 3-phenylpropyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCCC1)CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C17H26NO2/c1-18(12-6-3-7-13-18)15-17(19)20-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-15H2,1H3/q+1