ethyl 4-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-2-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-2-20-15(19)17-10-8-16(9-11-17)12-14(18)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3/p+1/t14-/m1/s1