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

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-oxidanylpropyl)azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-hydroxypropyl)azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-17(2,3)15-10-14(21-4)6-7-16(15)22-12-13(20)11-18-8-5-9-19/h6-7,10,13,18-20H,5,8-9,11-12H2,1-4H3/p+1/t13-/m0/s1