methyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-methyl-ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO2/c1-17(2,3)13-18(4,5)14-7-9-16(10-8-14)21-12-15(20)11-19-6/h7-10,15,19-20H,11-13H2,1-6H3/p+1/t15-/m0/s1