4-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2-hydroxy-5-pyrimidin-5-yl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[2-hydroxy-5-(5-pyrimidinyl)phenyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2-hydroxy-5-pyrimidin-5-ylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[2-hydroxy-5-(5-pyrimidyl)benzyl]piperazin-4-ium-1-carbaldehyde Formula: C16H19N4O2+ MolecularWeight: 299.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CN=CN=C3)O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CN=CN=C3)O)C=O

InChI

InChI=1S/C16H18N4O2/c21-12-20-5-3-19(4-6-20)10-14-7-13(1-2-16(14)22)15-8-17-11-18-9-15/h1-2,7-9,11-12,22H,3-6,10H2/p+1