ethyl 1-[(2R)-3-(1-adamantyloxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(1-adamantyloxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(1-adamantyloxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(1-adamantyloxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(1-adamantyloxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(1-adamantyloxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H36NO4+ MolecularWeight: 366.51484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H35NO4/c1-2-25-20(24)18-3-5-22(6-4-18)13-19(23)14-26-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-19,23H,2-14H2,1H3/p+1/t15?,16?,17?,19-,21?/m1/s1