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

Systemtic Name: [(2S)-2-oxidanyl-3-(4-propylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C20H36NO2+ MolecularWeight: 322.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH2+]C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C20H35NO2/c1-7-8-16-9-11-18(12-10-16)23-14-17(22)13-21-20(5,6)15-19(2,3)4/h9-12,17,21-22H,7-8,13-15H2,1-6H3/p+1/t17-/m0/s1