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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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