[(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(2R)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium CAS Name: [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(2R)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)OCCC[NH2+]C[C@H](COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO4/c1-17(2)26-14-6-13-23-15-20(24)16-27-21-11-9-19(10-12-21)22(25)18-7-4-3-5-8-18/h3-5,7-12,17,20,23-24H,6,13-16H2,1-2H3/p+1/t20-/m1/s1