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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CC(C)[NH2+]C[C@@H](COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C20H35NO2/c1-15(2)21-12-17(22)13-23-18-10-8-16(9-11-18)20(6,7)14-19(3,4)5/h8-11,15,17,21-22H,12-14H2,1-7H3/p+1/t17-/m0/s1