[(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium

Systemtic Name: [(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Openeye Name: [(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium CAS Name: [(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium IUPAC Name: [(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Traditional Name: [(4S)-4-(4-methoxyphenyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-14-7-8-15(2)20(16(14)3)23-19(6-5-13-21)17-9-11-18(22-4)12-10-17/h7-12,19H,5-6,13,21H2,1-4H3/p+1/t19-/m0/s1