tert-butyl 4-[(2S)-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-16(21)14-5-7-15(23-4)8-6-14/h5-8,16,21H,9-13H2,1-4H3/p+1/t16-/m1/s1