[(2S)-2-(4-ethylphenyl)-3-methyl-2-oxidanyl-butyl]azanium

Systemtic Name: [(2S)-2-(4-ethylphenyl)-3-methyl-2-oxidanyl-butyl]azanium Openeye Name: [(2S)-2-(4-ethylphenyl)-2-hydroxy-3-methyl-butyl]ammonium CAS Name: [(2S)-2-(4-ethylphenyl)-2-hydroxy-3-methylbutyl]ammonium IUPAC Name: [(2S)-2-(4-ethylphenyl)-2-hydroxy-3-methylbutyl]azanium Traditional Name: [(2S)-2-(4-ethylphenyl)-2-hydroxy-3-methyl-butyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])(C(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](C[NH3+])(C(C)C)O

InChI

InChI=1S/C13H21NO/c1-4-11-5-7-12(8-6-11)13(15,9-14)10(2)3/h5-8,10,15H,4,9,14H2,1-3H3/p+1/t13-/m0/s1