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

Systemtic Name: butyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: butyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: butyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: butyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: butyl-[3-(4-cumylphenoxy)propyl]ammonium Formula: C22H32NO+ MolecularWeight: 326.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO/c1-4-5-16-23-17-9-18-24-21-14-12-20(13-15-21)22(2,3)19-10-7-6-8-11-19/h6-8,10-15,23H,4-5,9,16-18H2,1-3H3/p+1