ethyl (3S)-1-[(3R)-3-phenylbutyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3R)-3-phenylbutyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3R)-3-phenylbutyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3R)-3-phenylbutyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3R)-3-phenylbutyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3R)-3-phenylbutyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2/c1-3-21-18(20)17-10-7-12-19(14-17)13-11-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3/p+1/t15-,17+/m1/s1