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

Systemtic Name: trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium chloride Openeye Name: trimethyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium chloride CAS Name: trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium chloride IUPAC Name: trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium chloride Traditional Name: 3-(4-cumylphenoxy)propyl-trimethyl-ammonium chloride Formula: C21H30ClNO MolecularWeight: 347.922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[N+](C)(C)C.[Cl-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C21H30NO.ClH/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5;/h6-8,10-15H,9,16-17H2,1-5H3;1H/q+1;/p-1