(4-methoxyphenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-methyl-p-anisyl-ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(C[NH+](C)CC2=CC=C(C=C2)OC)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](C[NH+](C)CC2=CC=C(C=C2)OC)O)C

InChI

InChI=1S/C21H29NO3/c1-15-6-7-16(2)21(17(15)3)25-14-19(23)13-22(4)12-18-8-10-20(24-5)11-9-18/h6-11,19,23H,12-14H2,1-5H3/p+1/t19-/m0/s1