[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-diisobutyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-bis(2-methylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-diisobutyl-ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+](CC(C)C)CC(C)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+](CC(C)C)CC(C)C)O

InChI

InChI=1S/C18H31NO2/c1-14(2)10-19(11-15(3)4)12-17(20)13-21-18-9-7-6-8-16(18)5/h6-9,14-15,17,20H,10-13H2,1-5H3/p+1/t17-/m0/s1