4-azanyl-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol

Systemtic Name: 4-azanyl-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol Openeye Name: 4-amino-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol CAS Name: 4-amino-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol IUPAC Name: 4-amino-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol Traditional Name: 4-amino-5-methyl-3-octyl-1,4-dihydropyrimidin-3-ium-2-ol Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(NC=C(C1N)C)O

Isomeric SMILES

CCCCCCCC[N+]1=C(NC=C(C1N)C)O

InChI

InChI=1S/C13H25N3O/c1-3-4-5-6-7-8-9-16-12(14)11(2)10-15-13(16)17/h10,12H,3-9,14H2,1-2H3,(H,15,17)/p+1