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

Systemtic Name: ethyl 4-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(2-naphthoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C20H26N2O4/c1-2-25-20(24)22-11-9-21(10-12-22)14-18(23)15-26-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13,18,23H,2,9-12,14-15H2,1H3/p+1/t18-/m1/s1