3-(6-azanylhexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one

Systemtic Name: 3-(6-azanylhexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one Openeye Name: 3-(6-aminohexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one CAS Name: 3-(6-aminohexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one IUPAC Name: 3-(6-aminohexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one Traditional Name: 3-(6-aminohexadecyl)-5-methyl-1H-pyrimidin-3-ium-2-one Formula: C21H40N3O+ MolecularWeight: 350.5618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC[N+]1=CC(=CNC1=O)C)N

Isomeric SMILES

CCCCCCCCCCC(CCCCC[N+]1=CC(=CNC1=O)C)N

InChI

InChI=1S/C21H39N3O/c1-3-4-5-6-7-8-9-11-14-20(22)15-12-10-13-16-24-18-19(2)17-23-21(24)25/h17-18,20H,3-16,22H2,1-2H3/p+1