[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C18H32NO4+ MolecularWeight: 326.45098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO4/c1-17(2,3)15-9-14(22-6)7-8-16(15)23-11-13(21)10-19-18(4,5)12-20/h7-9,13,19-21H,10-12H2,1-6H3/p+1/t13-/m0/s1