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

Systemtic Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-prop-2-enyl-azanium Openeye Name: allyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-prop-2-enylammonium IUPAC Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-prop-2-enylazanium Traditional Name: allyl-[3-(4-cumylphenoxy)propyl]ammonium Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO/c1-4-15-22-16-8-17-23-20-13-11-19(12-14-20)21(2,3)18-9-6-5-7-10-18/h4-7,9-14,22H,1,8,15-17H2,2-3H3/p+1