1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyrimidin-1-ium

Systemtic Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyrimidin-1-ium Openeye Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyrimidin-1-ium CAS Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenylpyrimidin-1-ium IUPAC Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenylpyrimidin-1-ium Traditional Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyrimidin-1-ium Formula: C27H27N2O+ MolecularWeight: 395.51608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCC[N+]3=CN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCC[N+]3=CN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N2O/c1-3-8-23(9-4-1)12-13-24-14-16-26(17-15-24)30-21-7-19-29-20-18-27(28-22-29)25-10-5-2-6-11-25/h1-6,8-11,14-18,20,22H,7,12-13,19,21H2/q+1