ethyl 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H39N2O4+ MolecularWeight: 395.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H38N2O4/c1-2-28-21(26)24-6-4-23(5-7-24)15-20(25)16-27-8-3-22-12-17-9-18(13-22)11-19(10-17)14-22/h17-20,25H,2-16H2,1H3/p+1/t17?,18?,19?,20-,22?/m1/s1