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

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-prop-2-enylammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-6-9-18-11-13(19)12-21-16-8-7-14(20-5)10-15(16)17(2,3)4/h6-8,10,13,18-19H,1,9,11-12H2,2-5H3/p+1/t13-/m0/s1