ethyl (3S)-1-(3-phenoxypropyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-phenoxypropyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(3-phenoxypropyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(3-phenoxypropyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-phenoxypropyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-phenoxypropyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC=CC=C2

InChI

InChI=1S/C17H25NO3/c1-2-20-17(19)15-8-6-11-18(14-15)12-7-13-21-16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3/p+1/t15-/m0/s1