[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C23H34NO4+ MolecularWeight: 388.52036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(C[NH2+]CCC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](C[NH2+]CCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C23H33NO4/c1-23(2,3)21-14-20(27-5)10-11-22(21)28-16-18(25)15-24-13-12-17-6-8-19(26-4)9-7-17/h6-11,14,18,24-25H,12-13,15-16H2,1-5H3/p+1/t18-/m0/s1