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

Systemtic Name: ethyl 4-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-3-(1-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=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@@H](COC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H26N2O4/c1-2-25-20(24)22-12-10-21(11-13-22)14-17(23)15-26-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,17,23H,2,10-15H2,1H3/p+1/t17-/m0/s1