[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-methoxypropyl)azanium

Systemtic Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-methoxypropyl)azanium Openeye Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-methoxypropyl)ammonium CAS Name: [(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-methoxypropyl)ammonium IUPAC Name: [(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-methoxypropyl)azanium Traditional Name: [(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(3-methoxypropyl)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+]CCCOC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO4/c1-18(2,3)16-11-15(22-5)7-8-17(16)23-13-14(20)12-19-9-6-10-21-4/h7-8,11,14,19-20H,6,9-10,12-13H2,1-5H3/p+1/t14-/m1/s1