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

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C18H32NO3+ MolecularWeight: 310.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH2+]C(C)COC)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](C[NH2+][C@H](C)COC)O

InChI

InChI=1S/C18H31NO3/c1-13-9-15(18(3,4)5)7-8-17(13)22-12-16(20)10-19-14(2)11-21-6/h7-9,14,16,19-20H,10-12H2,1-6H3/p+1/t14-,16+/m1/s1