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

Systemtic Name: ethyl 4-[(2R)-3-(1-adamantyloxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(1-adamantyloxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(1-adamantyloxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(1-adamantyloxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(1-adamantyloxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H35N2O4+ MolecularWeight: 367.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C20H34N2O4/c1-2-25-19(24)22-5-3-21(4-6-22)13-18(23)14-26-20-10-15-7-16(11-20)9-17(8-15)12-20/h15-18,23H,2-14H2,1H3/p+1/t15?,16?,17?,18-,20?/m1/s1