2-(2-methoxyphenoxy)ethyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: 2-(2-methoxyphenoxy)ethyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[2-(2-methoxyphenoxy)ethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[2-(2-methoxyphenoxy)ethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[2-(2-methoxyphenoxy)ethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[2-(2-methoxyphenoxy)ethyl]ammonium Formula: C21H30NO4+ MolecularWeight: 360.4672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CCOC2=CC=CC=C2OC)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH2+]CCOC2=CC=CC=C2OC)O

InChI

InChI=1S/C21H29NO4/c1-16(2)18-8-4-5-9-19(18)26-15-17(23)14-22-12-13-25-21-11-7-6-10-20(21)24-3/h4-11,16-17,22-23H,12-15H2,1-3H3/p+1/t17-/m0/s1