tert-butyl-[(2S)-2-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-[4-(o-tolylmethoxy)phenyl]ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-[4-(2-methylbenzyl)oxyphenyl]ethyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C20H27NO2/c1-15-7-5-6-8-17(15)14-23-18-11-9-16(10-12-18)19(22)13-21-20(2,3)4/h5-12,19,21-22H,13-14H2,1-4H3/p+1/t19-/m1/s1