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

Systemtic Name: [(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-tert-butyl-azanium Openeye Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-tert-butylazanium Traditional Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-tert-butyl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-6-7-12-20-15-10-8-14(9-11-15)17(5,19)13-18-16(2,3)4/h8-11,18-19H,6-7,12-13H2,1-5H3/p+1/t17-/m1/s1