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

Systemtic Name: dimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: dimethyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: dimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: dimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: 3-(4-cumylphenoxy)propyl-dimethyl-ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH+](C)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH+](C)C

InChI

InChI=1S/C20H27NO/c1-20(2,17-9-6-5-7-10-17)18-11-13-19(14-12-18)22-16-8-15-21(3)4/h5-7,9-14H,8,15-16H2,1-4H3/p+1