ethyl 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H32NO4+ MolecularWeight: 338.46168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2(CCCCC2)C#C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@@H](COC2(CCCCC2)C#C)O

InChI

InChI=1S/C19H31NO4/c1-3-19(10-6-5-7-11-19)24-15-17(21)14-20-12-8-16(9-13-20)18(22)23-4-2/h1,16-17,21H,4-15H2,2H3/p+1/t17-/m0/s1