ethyl 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenyl-1-[2-[[(2S)-tetrahydrofuran-2-yl]methoxy]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(2S)-2-oxolanyl]methoxy]ethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 4-phenyl-1-[2-[[(2S)-tetrahydrofuran-2-yl]methoxy]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCOCC2CCCO2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCOC[C@@H]2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3/p+1/t19-/m0/s1