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

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H32N3O3+ MolecularWeight: 362.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(C[NH2+]CCCN2C=CN=C2)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](C[NH2+]CCCN2C=CN=C2)O

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)18-12-17(25-4)6-7-19(18)26-14-16(24)13-21-8-5-10-23-11-9-22-15-23/h6-7,9,11-12,15-16,21,24H,5,8,10,13-14H2,1-4H3/p+1/t16-/m0/s1