4-[(2S)-2,4,4,5-tetramethyl-3-oxidanyl-imidazol-1-ium-2-yl]aniline

Systemtic Name: 4-[(2S)-2,4,4,5-tetramethyl-3-oxidanyl-imidazol-1-ium-2-yl]aniline Openeye Name: 4-[(2S)-3-hydroxy-2,4,4,5-tetramethyl-imidazol-1-ium-2-yl]aniline CAS Name: 4-[(2S)-3-hydroxy-2,4,4,5-tetramethyl-2-imidazol-1-iumyl]aniline IUPAC Name: 4-[(2S)-3-hydroxy-2,4,4,5-tetramethylimidazol-1-ium-2-yl]aniline Traditional Name: [4-[(2S)-1-hydroxy-2,4,5,5-tetramethyl-3-imidazolin-3-ium-2-yl]phenyl]amine Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(N(C1(C)C)O)(C)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=[NH+][C@](N(C1(C)C)O)(C)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H19N3O/c1-9-12(2,3)16(17)13(4,15-9)10-5-7-11(14)8-6-10/h5-8,17H,14H2,1-4H3/p+1/t13-/m0/s1