[(2R)-2-oxidanylpropyl]-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium

Systemtic Name: [(2R)-2-oxidanylpropyl]-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: [(2R)-2-hydroxypropyl]-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: [(2R)-2-hydroxypropyl]-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: [(2R)-2-hydroxypropyl]-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: 3-(4-cumylphenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O

Isomeric SMILES

C[C@H](C[NH2+]CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O

InChI

InChI=1S/C21H29NO2/c1-17(23)16-22-14-7-15-24-20-12-10-19(11-13-20)21(2,3)18-8-5-4-6-9-18/h4-6,8-13,17,22-23H,7,14-16H2,1-3H3/p+1/t17-/m1/s1