dimethyl-[3-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methylazaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(2-hydroxy-5-pyrimidin-5-yl-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-hydroxy-5-(5-pyrimidinyl)phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(2-hydroxy-5-pyrimidin-5-ylphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-hydroxy-5-(5-pyrimidyl)benzyl]ammonio]propyl-dimethyl-ammonium Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=C(C=CC(=C1)C2=CN=CN=C2)O

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=C(C=CC(=C1)C2=CN=CN=C2)O

InChI

InChI=1S/C16H22N4O/c1-20(2)7-3-6-17-9-14-8-13(4-5-16(14)21)15-10-18-12-19-11-15/h4-5,8,10-12,17,21H,3,6-7,9H2,1-2H3/p+2