3,3-diphenylpropyl-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]azanium

Systemtic Name: 3,3-diphenylpropyl-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]azanium Openeye Name: 3,3-diphenylpropyl-[(2-hydroxy-5-pyrimidin-5-yl-phenyl)methyl]ammonium CAS Name: 3,3-diphenylpropyl-[[2-hydroxy-5-(5-pyrimidinyl)phenyl]methyl]ammonium IUPAC Name: 3,3-diphenylpropyl-[(2-hydroxy-5-pyrimidin-5-ylphenyl)methyl]azanium Traditional Name: 3,3-diphenylpropyl-[2-hydroxy-5-(5-pyrimidyl)benzyl]ammonium Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC[NH2+]CC2=C(C=CC(=C2)C3=CN=CN=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC[NH2+]CC2=C(C=CC(=C2)C3=CN=CN=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O/c30-26-12-11-22(24-17-28-19-29-18-24)15-23(26)16-27-14-13-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,17-19,25,27,30H,13-14,16H2/p+1