[(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]azanium

Systemtic Name: [(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]azanium Openeye Name: [(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]ammonium CAS Name: [(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]ammonium IUPAC Name: [(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]azanium Traditional Name: [(2S)-2-(4-tert-butylphenyl)-2-(2,3,6-trimethylphenoxy)ethyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(C[NH3+])C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)O[C@H](C[NH3+])C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C21H29NO/c1-14-7-8-15(2)20(16(14)3)23-19(13-22)17-9-11-18(12-10-17)21(4,5)6/h7-12,19H,13,22H2,1-6H3/p+1/t19-/m1/s1