[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[(1S)-1-phenylethyl]ammonium Formula: C22H32NO3+ MolecularWeight: 358.49438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]C[C@H](COC2=C(C=C(C=C2)OC)C(C)(C)C)O

InChI

InChI=1S/C22H31NO3/c1-16(17-9-7-6-8-10-17)23-14-18(24)15-26-21-12-11-19(25-5)13-20(21)22(2,3)4/h6-13,16,18,23-24H,14-15H2,1-5H3/p+1/t16-,18+/m0/s1