[(2S)-2-(4-butoxyphenyl)-2-oxidanyl-ethyl]-tert-butyl-azanium

Systemtic Name: [(2S)-2-(4-butoxyphenyl)-2-oxidanyl-ethyl]-tert-butyl-azanium Openeye Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium CAS Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxyethyl]-tert-butylammonium IUPAC Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxyethyl]-tert-butylazanium Traditional Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C16H27NO2/c1-5-6-11-19-14-9-7-13(8-10-14)15(18)12-17-16(2,3)4/h7-10,15,17-18H,5-6,11-12H2,1-4H3/p+1/t15-/m1/s1