tert-butyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH2+]C(C)(C)C)O)C(C)C

InChI

InChI=1S/C17H29NO2/c1-12(2)16-8-7-15(9-13(16)3)20-11-14(19)10-18-17(4,5)6/h7-9,12,14,18-19H,10-11H2,1-6H3/p+1/t14-/m0/s1