ethyl (3S)-1-(oxan-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(oxan-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-phenoxyethyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(4-oxanyl)-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(oxan-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-phenoxyethyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCOCC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCOCC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H31NO4/c1-2-25-20(23)21(12-16-26-19-7-4-3-5-8-19)11-6-13-22(17-21)18-9-14-24-15-10-18/h3-5,7-8,18H,2,6,9-17H2,1H3/p+1/t21-/m0/s1