[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(3-methoxypropyl)azanium

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO3/c1-14-11-15(18(2,3)4)7-8-17(14)22-13-16(20)12-19-9-6-10-21-5/h7-8,11,16,19-20H,6,9-10,12-13H2,1-5H3/p+1/t16-/m0/s1